1-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine

• ChemBase ID: 399803
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: c1(n2c(nn1)cccc2)C1CN(c2oc(nn2)CC)CCC1
• Canonical SMILES: CCc1nnc(o1)N1CCCC(C1)c1nnc2n1cccc2
• InChI: InChI=1S/C15H18N6O/c1-2-13-17-19-15(22-13)20-8-5-6-11(10-20)14-18-16-12-7-3-4-9-21(12)14/h3-4,7,9,11H,2,5-6,8,10H2,1H3
• InChIKey: DYRIUMJUCYGPHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
• IUPAC Traditional name: 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
• Synonyms: 3-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl][1,2,4]triazolo[4,3-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9443729
• LogD (pH = 7.4): 0.945097
• Log P: 0.94510627
• Molar Refractivity: 86.1306 cm^3
• Polarizability: 30.291681 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.11
• LOG S: -3.69
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 3