1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-(oxolan-3-yl)-1H-1,2,3-triazole

• ChemBase ID: 653963
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: n12c(nc(c1)Cn1nnc(c1)C1COCC1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)Cn1nnc(c1)C1COCC1
• InChI: InChI=1S/C15H17N5O/c1-11-2-3-15-16-13(7-19(15)6-11)8-20-9-14(17-18-20)12-4-5-21-10-12/h2-3,6-7,9,12H,4-5,8,10H2,1H3
• InChIKey: MSNZKYMIYYLVPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-(oxolan-3-yl)-1H-1,2,3-triazole
• IUPAC Traditional name: 1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-(oxolan-3-yl)-1,2,3-triazole
• Synonyms: 6-methyl-2-{[4-(tetrahydrofuran-3-yl)-1H-1,2,3-triazol-1-yl]methyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6539797
• LogD (pH = 7.4): 1.3625631
• Log P: 1.3896148
• Molar Refractivity: 90.9156 cm^3
• Polarizability: 29.600416 Å^3
• Polar Surface Area: 57.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.69
• LOG S: -1.86
• Polar Surface Area: 57.24 Å^2
• Rotatable Bonds: 3