ChemSpider 2D Image | 5-Phenyl-3-(6-quinolinylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one | C21H17N5O

5-Phenyl-3-(6-quinolinylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one

  • Molecular FormulaC21H17N5O
  • Average mass355.393 Da
  • Monoisotopic mass355.143311 Da
  • ChemSpider ID28528609

More details:

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

3-(6-Chinolinylmethyl)-5-phenyl-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-on [German] [ACD/IUPAC Name]
4H-1,2,3-Triazolo[4,5-c]pyridin-4-one, 3,5,6,7-tetrahydro-5-phenyl-3-(6-quinolinylmethyl)- [ACD/Index Name]
5-Phényl-3-(6-quinoléinylméthyl)-3,5,6,7-tétrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one [French] [ACD/IUPAC Name]
5-Phenyl-3-(6-quinolinylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one [ACD/IUPAC Name]
5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.1±34.3 °C
Index of Refraction: 1.733
Molar Refractivity: 104.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 59.82
ACD/KOC (pH 5.5): 621.83
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.08
ACD/KOC (pH 7.4): 728.48
Polar Surface Area: 64 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 261.0±7.0 cm3

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