8-(2H3)methyl-3-methyl-3H-imidazo[4,5-f]quinoxalin-2-amine

• ChemBase ID: 74223
• Molecular Formular: C11H11N5
• Molecular Mass: 213.23854
• Monoisotopic Mass: 213.10144538
• SMILES: Cc1nc2c3nc(N)n(C)c3ccc2nc1
• Canonical SMILES: Cc1cnc2c(n1)c1nc(n(c1cc2)C)N
• InChI: InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)
• InChIKey: DVCCCQNKIYNAKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(^2H₃)methyl-3-methyl-3H-imidazo[4,5-f]quinoxalin-2-amine
• IUPAC Traditional name: 8-(^2H₃)methyl-3-methylimidazo[4,5-f]quinoxalin-2-amine
• Synonyms: 2-Amino-8-methyl-3-(trideuteromethyl)imidazo[4,5-f]quinoxaline

Database IDs

• MDL Number: MFCD00269884
• PubChem SID: 162039142
• PubChem CID: 71299266

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.263874
• LogD (pH = 7.4): 0.7096711
• Log P: 0.79570687
• Molar Refractivity: 60.0228 cm^3
• Polarizability: 25.07453 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true