ChemSpider 2D Image | [1-Phenyl-5-(2-pyridinyl)-1H-1,2,3-triazol-4-yl][2-(3-pyridinyl)-1-pyrrolidinyl]methanone | C23H20N6O

[1-Phenyl-5-(2-pyridinyl)-1H-1,2,3-triazol-4-yl][2-(3-pyridinyl)-1-pyrrolidinyl]methanone

  • Molecular FormulaC23H20N6O
  • Average mass396.444 Da
  • Monoisotopic mass396.169861 Da
  • ChemSpider ID30749071

More details:

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

[1-Phenyl-5-(2-pyridinyl)-1H-1,2,3-triazol-4-yl][2-(3-pyridinyl)-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
[1-Phenyl-5-(2-pyridinyl)-1H-1,2,3-triazol-4-yl][2-(3-pyridinyl)-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
[1-Phényl-5-(2-pyridinyl)-1H-1,2,3-triazol-4-yl][2-(3-pyridinyl)-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-phenyl-5-(2-pyridinyl)-1H-1,2,3-triazol-4-yl][2-(3-pyridinyl)-1-pyrrolidinyl]- [ACD/Index Name]
(1-phenyl-5-(pyridin-2-yl)-1H-1,2,3-triazol-4-yl)(2-(pyridin-3-yl)pyrrolidin-1-yl)methanone
1396686-52-4 [RN]
2-{1-phenyl-4-[(2-pyridin-3-ylpyrrolidin-1-yl)carbonyl]-1H-1,2,3-triazol-5-yl}pyridine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.7±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 116.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 5.97
ACD/KOC (pH 5.5): 112.37
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.67
ACD/KOC (pH 7.4): 163.01
Polar Surface Area: 77 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 297.7±7.0 cm3

Click to predict properties on the Chemicalize site


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