2-(1-Phenyl-1,2,4-triazol-3-yl)acetamide
Basic information
- CAS
64142-89-8- Standard SMILES
NC(=O)Cc1ncn(-c2ccccc2)n1- InChIKey
OENPFJGNWIQYEE-UHFFFAOYSA-N- Molecular formula
- C10H10N4O
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.08546096
Names & identifiers
- Preferred name
- 2-(1-Phenyl-1,2,4-triazol-3-yl)acetamide
- IUPAC
- 2-(1-phenyl-1,2,4-triazol-3-yl)acetamide
Names & synonyms
NSC6808082-(1-Phenyl-1H-1,2,4-triazol-3-yl)acetamide2-(1-phenyl-1,2,4-triazol-3-yl)acetamide64142-89-8CHEMBL1965329SCHEMBL29031304DTXSID70327731NSC-680808NCI60_028821
Database identifiers
- CAS
64142-89-8- PubChem CID
- 387233
- DTXSID
DTXSID70327731- ChEMBL
CHEMBL1965329
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
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Compound notes
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