Triazoles

Triazoles
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Thermo Scientific Acros 1H-Benzotriazole, 99%
CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1
PubChem CID | 7220 |
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CAS | 95-14-7 |
Molecular Weight (g/mol) | 119.13 |
ChEBI | CHEBI:75331 |
MDL Number | MFCD00005699 |
SMILES | C1=CC2=NNN=C2C=C1 |
Synonym | 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole |
IUPAC Name | 2H-benzotriazole |
InChI Key | QRUDEWIWKLJBPS-UHFFFAOYSA-N |
Molecular Formula | C6H5N3 |
Thermo Scientific Acros 1,2,4-1H-Triazole, 99.5%
CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.06 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1
PubChem CID | 9257 |
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CAS | 288-88-0 |
Molecular Weight (g/mol) | 69.06 |
ChEBI | CHEBI:35550 |
MDL Number | MFCD00005228 |
SMILES | C1=NC=NN1 |
Synonym | 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van |
IUPAC Name | 1H-1,2,4-triazole |
InChI Key | NSPMIYGKQJPBQR-UHFFFAOYSA-N |
Molecular Formula | C2H3N3 |
Thermo Scientific Acros 3-Amino-1H-1,2,4-triazole, 95%
CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1
PubChem CID | 1639 |
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CAS | 61-82-5 |
Molecular Weight (g/mol) | 84.08 |
ChEBI | CHEBI:40036 |
MDL Number | MFCD00005230,MFCD00053362 |
SMILES | NC1=NC=NN1 |
Synonym | 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox |
IUPAC Name | 1H-1,2,4-triazol-5-amine |
InChI Key | KLSJWNVTNUYHDU-UHFFFAOYSA-N |
Molecular Formula | C2H4N4 |
Thermo Scientific Acros 3,5-Diamino-1,2,4-triazole, 98%
CAS: 1455-77-2 Molecular Formula: C2H5N5 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00005233 InChI Key: PKWIYNIDEDLDCJ-UHFFFAOYSA-N Synonym: guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine PubChem CID: 15078 ChEBI: CHEBI:75425 IUPAC Name: 1H-1,2,4-triazole-3,5-diamine SMILES: C1(=NC(=NN1)N)N
PubChem CID | 15078 |
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CAS | 1455-77-2 |
Molecular Weight (g/mol) | 99.09 |
ChEBI | CHEBI:75425 |
MDL Number | MFCD00005233 |
SMILES | C1(=NC(=NN1)N)N |
Synonym | guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine |
IUPAC Name | 1H-1,2,4-triazole-3,5-diamine |
InChI Key | PKWIYNIDEDLDCJ-UHFFFAOYSA-N |
Molecular Formula | C2H5N5 |
Thermo Scientific Acros 1,2,4-Triazole, sodium salt, 90%, technical
CAS: 41253-21-8 Molecular Formula: C2H2N3Na Molecular Weight (g/mol): 91.05 MDL Number: MFCD00044437 InChI Key: NVMNEWNGLGACBB-UHFFFAOYSA-N Synonym: sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt PubChem CID: 4649906 IUPAC Name: sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene SMILES: C1=NC=N[N-]1.[Na+]
PubChem CID | 4649906 |
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CAS | 41253-21-8 |
Molecular Weight (g/mol) | 91.05 |
MDL Number | MFCD00044437 |
SMILES | C1=NC=N[N-]1.[Na+] |
Synonym | sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt |
IUPAC Name | sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene |
InChI Key | NVMNEWNGLGACBB-UHFFFAOYSA-N |
Molecular Formula | C2H2N3Na |
Thermo Scientific Acros 1,2,3-1H-Triazole, 97%
CAS: 288-36-8 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.07 InChI Key: QWENRTYMTSOGBR-UHFFFAOYSA-N Synonym: 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole PubChem CID: 67516 ChEBI: CHEBI:35565 IUPAC Name: 2H-triazole SMILES: C1=NNN=C1
PubChem CID | 67516 |
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CAS | 288-36-8 |
Molecular Weight (g/mol) | 69.07 |
ChEBI | CHEBI:35565 |
SMILES | C1=NNN=C1 |
Synonym | 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole |
IUPAC Name | 2H-triazole |
InChI Key | QWENRTYMTSOGBR-UHFFFAOYSA-N |
Molecular Formula | C2H3N3 |
Thermo Scientific Acros 1-Chloromethyl-1H-1,2,4-triazole, hydrochloride, 98%, Thermo Scientific™
CAS: 84387-61-1 Molecular Formula: C3H5Cl2N3 Molecular Weight (g/mol): 153.99 MDL Number: MFCD00964947 InChI Key: GXVWDLWTFIDZLR-UHFFFAOYSA-N Synonym: 1-chloromethyl-1h-1,2,4-triazole hydrochloride,1-chloromethyl-1,2,4-triazole hydrochloride,1h-1,2,4-triazole,1-chloromethyl-,monohydrochloride,1h-1,2,4-triazole, 1-chloromethyl-, monohydrochloride PubChem CID: 13268168 IUPAC Name: 1-(chloromethyl)-1,2,4-triazole;hydrochloride SMILES: Cl.ClCN1C=NC=N1
PubChem CID | 13268168 |
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CAS | 84387-61-1 |
Molecular Weight (g/mol) | 153.99 |
MDL Number | MFCD00964947 |
SMILES | Cl.ClCN1C=NC=N1 |
Synonym | 1-chloromethyl-1h-1,2,4-triazole hydrochloride,1-chloromethyl-1,2,4-triazole hydrochloride,1h-1,2,4-triazole,1-chloromethyl-,monohydrochloride,1h-1,2,4-triazole, 1-chloromethyl-, monohydrochloride |
IUPAC Name | 1-(chloromethyl)-1,2,4-triazole;hydrochloride |
InChI Key | GXVWDLWTFIDZLR-UHFFFAOYSA-N |
Molecular Formula | C3H5Cl2N3 |
Thermo Scientific Acros PYBOP™, 99%
CAS: 128625-52-5 Molecular Formula: C18H28F6N6OP2 Molecular Weight (g/mol): 520.39 MDL Number: MFCD00077411 InChI Key: VIAFLMPQBHAMLI-UHFFFAOYSA-N Synonym: pybop,1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v,benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate,benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yloxytris pyrrolidino phosphonium hexafluorophosphate,benzotriazole-1-yl-oxy-tris-pyrrolidino-phosphonium hexafluorophosphate,benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate PubChem CID: 2724699 IUPAC Name: benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate SMILES: C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F
PubChem CID | 2724699 |
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CAS | 128625-52-5 |
Molecular Weight (g/mol) | 520.39 |
MDL Number | MFCD00077411 |
SMILES | C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F |
Synonym | pybop,1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v,benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate,benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yloxytris pyrrolidino phosphonium hexafluorophosphate,benzotriazole-1-yl-oxy-tris-pyrrolidino-phosphonium hexafluorophosphate,benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate |
IUPAC Name | benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate |
InChI Key | VIAFLMPQBHAMLI-UHFFFAOYSA-N |
Molecular Formula | C18H28F6N6OP2 |
Thermo Scientific Acros Benzotriazol-1-yloxytris(dimethylamino)-phosphonium hexafluorophosphate, 98+%
CAS: 56602-33-6 Molecular Formula: C12H22N6OP·PF6 Molecular Weight (g/mol): 442.27 InChI Key: MGEVGECQZUIPSV-UHFFFAOYSA-N Synonym: bop reagent,1h-benzo d 1,2,3 triazol-1-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,castro's reagent,bop-reagent,benzotriazol-1-yloxytris dimethylamino-phosphonium hexafluorophosphate,ccris 2602,castros reagent,tri dimethylamino benzotriazol-1-yloxyphosphonium hexafluorophosphate,benzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate PubChem CID: 151348 IUPAC Name: benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphate SMILES: CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F
PubChem CID | 151348 |
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CAS | 56602-33-6 |
Molecular Weight (g/mol) | 442.27 |
SMILES | CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F |
Synonym | bop reagent,1h-benzo d 1,2,3 triazol-1-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,castro's reagent,bop-reagent,benzotriazol-1-yloxytris dimethylamino-phosphonium hexafluorophosphate,ccris 2602,castros reagent,tri dimethylamino benzotriazol-1-yloxyphosphonium hexafluorophosphate,benzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate |
IUPAC Name | benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphate |
InChI Key | MGEVGECQZUIPSV-UHFFFAOYSA-N |
Molecular Formula | C12H22N6OP·PF6 |
Thermo Scientific Chemicals Myclobutanil
CAS: 88671-89-0 Molecular Formula: C15H17ClN4 Molecular Weight (g/mol): 288.78 InChI Key: HZJKXKUJVSEEFU-UHFFFAOYNA-N IUPAC Name: 2-(4-chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]hexanenitrile SMILES: CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1
CAS | 88671-89-0 |
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Molecular Weight (g/mol) | 288.78 |
SMILES | CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1 |
IUPAC Name | 2-(4-chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]hexanenitrile |
InChI Key | HZJKXKUJVSEEFU-UHFFFAOYNA-N |
Molecular Formula | C15H17ClN4 |
Thermo Scientific Acros 8-Azahypoxanthine, 98%
CAS: 2683-90-1 Molecular Formula: C4H3N5O Molecular Weight (g/mol): 137.10 MDL Number: MFCD00005804 InChI Key: OEEYCNOOAHGFHL-UHFFFAOYSA-N Synonym: 8-azahypoxanthine,azahypoxanthine,3h-1,2,3 triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-1,2,3,4,6-pentaazaindene,7h-1,2,3-triazolo 4,5-d pyrimidin-7-one, 1,4-dihydro,7-hydroxy-v-triazolo d pyrimidine,1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol,v-triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-3h-1,2,3 triazolo 4,5-d pyrimidine PubChem CID: 75895 IUPAC Name: 2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one SMILES: O=C1N=CN=C2NNN=C12
PubChem CID | 75895 |
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CAS | 2683-90-1 |
Molecular Weight (g/mol) | 137.10 |
MDL Number | MFCD00005804 |
SMILES | O=C1N=CN=C2NNN=C12 |
Synonym | 8-azahypoxanthine,azahypoxanthine,3h-1,2,3 triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-1,2,3,4,6-pentaazaindene,7h-1,2,3-triazolo 4,5-d pyrimidin-7-one, 1,4-dihydro,7-hydroxy-v-triazolo d pyrimidine,1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol,v-triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-3h-1,2,3 triazolo 4,5-d pyrimidine |
IUPAC Name | 2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one |
InChI Key | OEEYCNOOAHGFHL-UHFFFAOYSA-N |
Molecular Formula | C4H3N5O |
Thermo Scientific Acros Methyl 1,2,4-triazole-3-carboxylate, 98%
CAS: 4928-88-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.1 InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N PubChem CID: 2735089 IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate SMILES: COC(=O)C1=NC=NN1
PubChem CID | 2735089 |
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CAS | 4928-88-5 |
Molecular Weight (g/mol) | 127.1 |
SMILES | COC(=O)C1=NC=NN1 |
IUPAC Name | methyl 1H-1,2,4-triazole-5-carboxylate |
InChI Key | QMPFMODFBNEYJH-UHFFFAOYSA-N |
Molecular Formula | C4H5N3O2 |
Thermo Scientific Acros 1-Aminobenzotriazole, 98%
CAS: 1614-12-6 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.14 MDL Number: MFCD00132902 InChI Key: JCXKHYLLVKZPKE-UHFFFAOYSA-N Synonym: 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine PubChem CID: 1367 IUPAC Name: benzotriazol-1-amine SMILES: C1=CC=C2C(=C1)N=NN2N
PubChem CID | 1367 |
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CAS | 1614-12-6 |
Molecular Weight (g/mol) | 134.14 |
MDL Number | MFCD00132902 |
SMILES | C1=CC=C2C(=C1)N=NN2N |
Synonym | 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine |
IUPAC Name | benzotriazol-1-amine |
InChI Key | JCXKHYLLVKZPKE-UHFFFAOYSA-N |
Molecular Formula | C6H6N4 |