7-(3-methylbut-2-enoyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 736817
• Molecular Formular: C12H16N4O2
• Molecular Mass: 248.28104
• Monoisotopic Mass: 248.12732577
• SMILES: c1(n2c(nc1)CN(C(=O)C=C(C)C)CC2)C(=O)N
• Canonical SMILES: CC(=CC(=O)N1CCn2c(C1)ncc2C(=O)N)C
• InChI: InChI=1S/C12H16N4O2/c1-8(2)5-11(17)15-3-4-16-9(12(13)18)6-14-10(16)7-15/h5-6H,3-4,7H2,1-2H3,(H2,13,18)
• InChIKey: DKCACQXKUSUKAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-methylbut-2-enoyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(3-methylbut-2-enoyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-(3-methylbut-2-enoyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872561
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7232068
• LogD (pH = 7.4): -0.695058
• Log P: -0.69468486
• Molar Refractivity: 67.6405 cm^3
• Polarizability: 24.996994 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.41
• LOG S: -1.97
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 2