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

• ChemBase ID: 344145
• Molecular Formular: C14H20N6O
• Molecular Mass: 288.3482
• Monoisotopic Mass: 288.16985929
• SMILES: c1(n2c(nn1)CCCC2)C(=O)N(CCn1nccc1)CC
• Canonical SMILES: CCN(C(=O)c1nnc2n1CCCC2)CCn1cccn1
• InChI: InChI=1S/C14H20N6O/c1-2-18(10-11-19-8-5-7-15-19)14(21)13-17-16-12-6-3-4-9-20(12)13/h5,7-8H,2-4,6,9-11H2,1H3
• InChIKey: WVNOVHIHDXTOIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.17436041
• LogD (pH = 7.4): 0.1745602
• Log P: 0.17456275
• Molar Refractivity: 92.1527 cm^3
• Polarizability: 29.402067 Å^3
• Polar Surface Area: 68.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.27
• LOG S: -2.84
• Polar Surface Area: 68.84 Å^2
• Rotatable Bonds: 5