ChemSpider 2D Image | 4-[3-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-3-cinnolinecarbonitrile | C22H19N7

4-[3-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-3-cinnolinecarbonitrile

  • Molecular FormulaC22H19N7
  • Average mass381.433 Da
  • Monoisotopic mass381.170197 Da
  • ChemSpider ID30418094

More details:

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

3-Cinnolinecarbonitrile, 4-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]- [ACD/Index Name]
4-[3-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-3-cinnolincarbonitril [German] [ACD/IUPAC Name]
4-[3-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-3-cinnolinecarbonitrile [ACD/IUPAC Name]
4-[3-(3-Phényl-1H-1,2,4-triazol-5-yl)-1-pipéridinyl]-3-cinnolinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 707.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.4±35.7 °C
Index of Refraction: 1.724
Molar Refractivity: 108.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 16.86
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 30.85
ACD/KOC (pH 7.4): 367.01
Polar Surface Area: 94 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 89.8±5.0 dyne/cm
Molar Volume: 273.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement