5-amino-2-methyl-1H-imidazole-4-carboxamide

• ChemBase ID: 308062
• Molecular Formular: C5H8N4O
• Molecular Mass: 140.14322
• Monoisotopic Mass: 140.0698109
• SMILES: c1(c([nH]c(n1)C)N)C(=O)N
• Canonical SMILES: NC(=O)c1nc([nH]c1N)C
• InChI: InChI=1S/C5H8N4O/c1-2-8-3(5(7)10)4(6)9-2/h6H2,1H3,(H2,7,10)(H,8,9)
• InChIKey: FGFMOYKWJBONCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-methyl-1H-imidazole-4-carboxamide
• IUPAC Traditional name: 5-amino-2-methyl-1H-imidazole-4-carboxamide
• Synonyms: 5-amino-2-methyl-1H-imidazole-4-carboxamide

Database IDs

• CAS Number: 37800-98-9
• MDL Number: MFCD20502610

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.2431053
• LogD (pH = 7.4): -0.8829648
• Log P: -0.8753038
• Molar Refractivity: 36.1136 cm^3
• Polarizability: 12.9797 Å^3
• Polar Surface Area: 97.79 Å^2