5H,6H,7H,8H-imidazo[1,2-a]pyrazin-6-one

• ChemBase ID: 244934
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: n12c(ncc2)CNC(=O)C1
• Canonical SMILES: O=C1NCc2n(C1)ccn2
• InChI: InChI=1S/C6H7N3O/c10-6-4-9-2-1-7-5(9)3-8-6/h1-2H,3-4H2,(H,8,10)
• InChIKey: OZEDEFOLUBDEFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,2-a]pyrazin-6-one
• IUPAC Traditional name: 5H,7H,8H-imidazo[1,2-a]pyrazin-6-one
• Synonyms: 5H,6H,7H,8H-imidazo[1,2-a]pyrazin-6-one

Database IDs

• MDL Number: MFCD22741277
• PubChem SID: 164300844
• PubChem CID: 21941427

CALCULATED PROPERTIES

• Acid pKa: 11.419093
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6990205
• LogD (pH = 7.4): -1.2167835
• Log P: -1.2024376
• Molar Refractivity: 34.5946 cm^3
• Polarizability: 13.190852 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -1.39

Product Information

• Purity: 95%