1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-amine
Basic information
- CAS
3357-34-4- Standard SMILES
Nc1nc(-c2ccccc2)nn1C(=O)c1ccccc1- InChIKey
FGPIRFBZOFBCBD-UHFFFAOYSA-N- Molecular formula
- C15H12N4O
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.10111102
Names & identifiers
- Preferred name
- 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-amine
- IUPAC
- (5-amino-3-phenyl-1,2,4-triazol-1-yl)-phenylmethanone
Names & synonyms
1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-amine3357-34-4(5-Amino-3-phenyl-1H-1,2,4-triazol-1-yl)(phenyl)methanoneSCHEMBL2554237DTXSID201262572HMS3464F14AKOS021943674CCG-157504AE-848/42278520
Database identifiers
- CAS
3357-34-4- PubChem CID
- 828604
- DTXSID
DTXSID201262572
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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