N-(5-oxo-1-propylpyrrolidin-3-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

• ChemBase ID: 404941
• Molecular Formular: C14H21N5O2
• Molecular Mass: 291.34884
• Monoisotopic Mass: 291.16952494
• SMILES: c1(n2c(nn1)CCCC2)C(=O)NC1CC(=O)N(C1)CCC
• Canonical SMILES: CCCN1CC(CC1=O)NC(=O)c1nnc2n1CCCC2
• InChI: InChI=1S/C14H21N5O2/c1-2-6-18-9-10(8-12(18)20)15-14(21)13-17-16-11-5-3-4-7-19(11)13/h10H,2-9H2,1H3,(H,15,21)
• InChIKey: RSHVZDVSWZVORA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-oxo-1-propylpyrrolidin-3-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-(5-oxo-1-propylpyrrolidin-3-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• Synonyms: N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.897542
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5125956
• LogD (pH = 7.4): -0.5125263
• Log P: -0.5125241
• Molar Refractivity: 78.8884 cm^3
• Polarizability: 29.039957 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.19
• LOG S: -2.47
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 4