2-(4-propylmorpholin-3-yl)-N-{[1,2,4]triazolo[4,3-a]pyridin-8-yl}acetamide

• ChemBase ID: 341694
• Molecular Formular: C15H21N5O2
• Molecular Mass: 303.35954
• Monoisotopic Mass: 303.16952494
• SMILES: c12n(cnn2)cccc1NC(=O)CC1N(CCC)CCOC1
• Canonical SMILES: CCCN1CCOCC1CC(=O)Nc1cccn2c1nnc2
• InChI: InChI=1S/C15H21N5O2/c1-2-5-19-7-8-22-10-12(19)9-14(21)17-13-4-3-6-20-11-16-18-15(13)20/h3-4,6,11-12H,2,5,7-10H2,1H3,(H,17,21)
• InChIKey: GUPVWHUGWIHCHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-propylmorpholin-3-yl)-N-{[1,2,4]triazolo[4,3-a]pyridin-8-yl}acetamide
• IUPAC Traditional name: 2-(4-propylmorpholin-3-yl)-N-{[1,2,4]triazolo[4,3-a]pyridin-8-yl}acetamide
• Synonyms: 2-(4-propyl-3-morpholinyl)-N-[1,2,4]triazolo[4,3-a]pyridin-8-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.431817
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.2514794
• LogD (pH = 7.4): -0.55973256
• Log P: -0.11408368
• Molar Refractivity: 87.1613 cm^3
• Polarizability: 31.693668 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.26
• LOG S: -2.94
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 5