1-cyclohexyl-5-{pyrazolo[1,5-a]pyridin-3-yl}-1H-1,2,4-triazole

• ChemBase ID: 333860
• Molecular Formular: C15H17N5
• Molecular Mass: 267.32898
• Monoisotopic Mass: 267.14839557
• SMILES: c1(c2n(ncn2)C2CCCCC2)c2n(nc1)cccc2
• Canonical SMILES: C1CCC(CC1)n1ncnc1c1cnn2c1cccc2
• InChI: InChI=1S/C15H17N5/c1-2-6-12(7-3-1)20-15(16-11-18-20)13-10-17-19-9-5-4-8-14(13)19/h4-5,8-12H,1-3,6-7H2
• InChIKey: RHKGHBOSMHFVPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-5-{pyrazolo[1,5-a]pyridin-3-yl}-1H-1,2,4-triazole
• IUPAC Traditional name: 1-cyclohexyl-5-{pyrazolo[1,5-a]pyridin-3-yl}-1,2,4-triazole
• Synonyms: 3-(1-cyclohexyl-1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.068521
• LogD (pH = 7.4): 3.0685637
• Log P: 3.0685642
• Molar Refractivity: 110.1712 cm^3
• Polarizability: 30.40249 Å^3
• Polar Surface Area: 48.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.1
• LOG S: -3.8
• Polar Surface Area: 48.01 Å^2
• Rotatable Bonds: 2