N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine

• ChemBase ID: 577111
• Molecular Formular: C17H16N6O
• Molecular Mass: 320.34854
• Monoisotopic Mass: 320.13855916
• SMILES: n12c(nc(c1)CCNc1nc(c3oc(cc3)C)cnn1)cccc2
• Canonical SMILES: Cc1ccc(o1)c1cnnc(n1)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C17H16N6O/c1-12-5-6-15(24-12)14-10-19-22-17(21-14)18-8-7-13-11-23-9-3-2-4-16(23)20-13/h2-6,9-11H,7-8H2,1H3,(H,18,21,22)
• InChIKey: LVSGXYJEVNIVLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-(5-methyl-2-furyl)-1,2,4-triazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.569993
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.49803826
• LogD (pH = 7.4): 1.3055229
• Log P: 1.3436747
• Molar Refractivity: 93.6984 cm^3
• Polarizability: 34.548317 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.75
• LOG S: -4.95
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 5