Molecule ID: 70765

IUPAC Name: 1-methyl-7H-purin-6-one

Description: The molecule is a methylhypoxanthine that is hypoxanthine with the methyl group at position 1. It has a role as a human urinary metabolite and a rat metabolite.

SMILES: Cn1cnc2[nH]cnc2c1=O

SELFIES: [C][N][C][=N][C][NH1][C][=N][C][=Ring1][Branch1][C][Ring1][=Branch2][=O]

InChI: InChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 61.4 Ų
- LogP: -0.3