6-amino-7-methylquinoxaline-2,3-diol

• ChemBase ID: 308384
• Molecular Formular: C9H9N3O2
• Molecular Mass: 191.18666
• Monoisotopic Mass: 191.06947654
• SMILES: n1c(c(nc2c1cc(c(c2)C)N)O)O
• Canonical SMILES: Nc1cc2nc(O)c(nc2cc1C)O
• InChI: InChI=1S/C9H9N3O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,10H2,1H3,(H,11,13)(H,12,14)
• InChIKey: FWTQHXAYMVYHKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-7-methylquinoxaline-2,3-diol
• IUPAC Traditional name: 6-amino-7-methylquinoxaline-2,3-diol
• Synonyms: 6-amino-7-methyl-2,3-quinoxalinediol

Database IDs

• CAS Number: 69904-14-9
• MDL Number: MFCD11053967

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.565174
• LogD (pH = 7.4): 1.5653428
• Log P: 1.5653583
• Molar Refractivity: 51.7808 cm^3
• Polarizability: 20.166628 Å^3
• Polar Surface Area: 92.26 Å^2