6-[2-(benzyloxy)ethyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine

• ChemBase ID: 433166
• Molecular Formular: C16H17N3O
• Molecular Mass: 267.32568
• Monoisotopic Mass: 267.13716218
• SMILES: n12c(nc(n1)C)ccc(c2)CCOCc1ccccc1
• Canonical SMILES: Cc1nn2c(n1)ccc(c2)CCOCc1ccccc1
• InChI: InChI=1S/C16H17N3O/c1-13-17-16-8-7-14(11-19(16)18-13)9-10-20-12-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
• InChIKey: NDSFVJYMZOSMQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(benzyloxy)ethyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 6-[2-(benzyloxy)ethyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine
• Synonyms: 6-[2-(benzyloxy)ethyl]-2-methyl[1,2,4]triazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.60478
• LogD (pH = 7.4): 3.6059668
• Log P: 3.6059818
• Molar Refractivity: 90.3108 cm^3
• Polarizability: 29.882341 Å^3
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.93
• LOG S: -3.65
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 5