Molecule ID: 192963

IUPAC Name: 3-hydroxy-7H-purin-6-one

Description: The molecule is an oxopurine that is 3,9-dihydro-6H-purine which is substituted by an oxo group at position 6 and in which the hydrogen attached to the nitrogen at position 3 is replaced by a hydroxy group. It is a major component of Schreckstoff, an alarm pheromone found in fish. It has a role as an alarm pheromone and a metabolite. It is a member of hydroxylamines, an oxopurine and a member of purine N-oxides.

SMILES: O=c1ncn(O)c2[nH]cnc12

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

InChI: InChI=1S/C5H4N4O2/c10-5-3-4(7-1-6-3)9(11)2-8-5/h1-2,11H,(H,6,7)

Molecular Properties:
- Polar Surface Area: 81.6 Ų
- LogP: -0.8