ChemSpider 2D Image | {5-(5-Chloro-6-oxo-1,6-dihydro-3-pyridinyl)-3-[(1-methyl-4-piperidinyl)methyl]-1H-1,2,4-triazol-1-yl}acetic acid | C16H20ClN5O3

{5-(5-Chloro-6-oxo-1,6-dihydro-3-pyridinyl)-3-[(1-methyl-4-piperidinyl)methyl]-1H-1,2,4-triazol-1-yl}acetic acid

  • Molecular FormulaC16H20ClN5O3
  • Average mass365.815 Da
  • Monoisotopic mass365.125458 Da
  • ChemSpider ID30944028

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{5-(5-Chlor-6-oxo-1,6-dihydro-3-pyridinyl)-3-[(1-methyl-4-piperidinyl)methyl]-1H-1,2,4-triazol-1-yl}essigsäure [German] [ACD/IUPAC Name]
{5-(5-Chloro-6-oxo-1,6-dihydro-3-pyridinyl)-3-[(1-methyl-4-piperidinyl)methyl]-1H-1,2,4-triazol-1-yl}acetic acid [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-acetic acid, 5-(5-chloro-1,6-dihydro-6-oxo-3-pyridinyl)-3-[(1-methyl-4-piperidinyl)methyl]- [ACD/Index Name]
Acide {5-(5-chloro-6-oxo-1,6-dihydro-3-pyridinyl)-3-[(1-méthyl-4-pipéridinyl)méthyl]-1H-1,2,4-triazol-1-yl}acétique [French] [ACD/IUPAC Name]
{5-(5-chloro-6-oxo-1,6-dihydropyridin-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1H-1,2,4-triazol-1-yl}acetic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 240.6±7.0 cm3

Click to predict properties on the Chemicalize site


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