Molecule ID: 77910

IUPAC Name: 2-phenyl-1H-1,2,4-triazol-5-one

Description: The molecule is a member of triazoles and a heteroaryl hydroxy compound. It is a tautomer of a 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one. It derives from a hydride of a 1-phenyl-1H-1,2,4-triazole.

SMILES: Oc1ncn(-c2ccccc2)n1

SELFIES: [O][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O]

InChI: InChI=1S/C8H7N3O/c12-8-9-6-11(10-8)7-4-2-1-3-5-7/h1-6H,(H,10,12)

Molecular Properties:
- Polar Surface Area: 44.7 Ų
- LogP: 0.9