N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(1H-1,2,4-triazol-1-yl)acetamide

• ChemBase ID: 429133
• Molecular Formular: C11H14N6O
• Molecular Mass: 246.26846
• Monoisotopic Mass: 246.1229091
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)Cn1ncnc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)Cn1cncn1
• InChI: InChI=1S/C11H14N6O/c18-11(6-16-8-12-7-14-16)15-10-5-13-9-3-1-2-4-17(9)10/h5,7-8H,1-4,6H2,(H,15,18)
• InChIKey: NHBNFPJQUBYSIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(1H-1,2,4-triazol-1-yl)acetamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(1,2,4-triazol-1-yl)acetamide
• Synonyms: N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.292433
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0560896
• LogD (pH = 7.4): -0.41343275
• Log P: -0.38399515
• Molar Refractivity: 77.5392 cm^3
• Polarizability: 24.09644 Å^3
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.66
• LOG S: -1.74
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 3