Basic information
- CAS
87633-57-6- Standard SMILES
Nc1ncnn1-c1nc2ccccc2[nH]1- InChIKey
VCGAIPSUNFKDPG-UHFFFAOYSA-N- Molecular formula
- C9H8N6
- Average molar mass
- 200.2 g/mol
Names & identifiers
- Preferred name
- 2-(1H-Benzoimidazol-2-YL)-2H-[1,2,4]triazol-3-ylamine
- IUPAC
- 2-(1H-benzimidazol-2-yl)-1,2,4-triazol-3-amine
- English name
- 1H-1,2,4-Triazol-5-amine,1-(1H-benzimidazol-2-yl)-(9CI)
- Molecular formula
- C9H8N6
- Molecular weight
- 200.2
Names & synonyms
87633-57-61-(1H-1,3-benzodiazol-2-yl)-1H-1,2,4-triazol-5-amine2-(1H-BENZOIMIDAZOL-2-YL)-2H-[1,2,4]TRIAZOL-3-YLAMINEMFCD121311132-(1H-benzimidazol-2-yl)-1,2,4-triazol-3-amine1H-1,2,4-Triazol-5-amine, 1-(1H-benzimidazol-2-yl)-1-(1H-Benzo[d]imidazol-2-yl)-1H-1,2,4-triazol-5-amine2-(3-Amino-1,2,4-triazol-2-yl)benzimidazolSCHEMBL1801245ALBB-033099SBB092594AKOS013648549
Show more names
1H-1,2,4-Triazol-5-amine,1-(1H-benzimidazol-2-yl)-(9CI)
LS-12455DS-019589H467441-benzimidazol-2-yl-1,2,4-triazole-5-ylamine2-(3-Amino-1,2,4-triazol-2-yl)benzimidazoleEN300-9255677F3169033-amino-2-(1H-benzimidazol-2-yl)-1,2,4-triazole
Database identifiers
- CAS
87633-57-6- PubChem CID
- 608264
- EC Number
- 884-366-4
- Nikkaji
- J605.431E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 313 · 313-315 °C(Solv: ethanol (64-17-5))
- Boiling point
- 544.6 · 544.6±33.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 10.12 · 10.12±0.10(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
5 records
Compound notes
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