Molecule ID: 38854

IUPAC Name: 4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one

Description: The molecule is a member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, a methyl group at position 3 and a phenyl group at position 6. It has a role as an environmental contaminant, a xenobiotic and a herbicide.

SMILES: Cc1nnc(-c2ccccc2)c(=O)n1N

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

InChI: InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3

Molecular Properties:
- Polar Surface Area: 71.0 Ų
- LogP: 0.7