Basic information
- CAS
57735-14-5- Standard SMILES
O=c1[nH]nc(-c2ccccc2)n1Nc1ccccc1- InChIKey
YYVYJIBWMYCEGR-UHFFFAOYSA-N- Molecular formula
- C14H12N4O
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.10111102
Names & identifiers
- Preferred name
- 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 4-anilino-3-phenyl-1H-1,2,4-triazol-5-one
Names & synonyms
57735-14-5NSC6767213-Phenyl-4-(phenylamino)-1H-1,2,4-triazol-5(4H)-one4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one4-anilino-3-phenyl-1H-1,2,4-triazol-5-oneCHEMBL1970830DTXSID30327676YYVYJIBWMYCEGR-UHFFFAOYSA-NNSC-676721NCI60_0271963-Phenyl-4-anilino-4,5(1H)-dihydro-1,2,4-triazole-5-one4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one #
Database identifiers
- CAS
57735-14-5- PubChem CID
- 385485
- DTXSID
DTXSID30327676- ChEMBL
CHEMBL1970830
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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