ChemSpider 2D Image | {4-[(3,4-Dimethylphenyl)amino]-1H-1,2,3-triazol-5-yl}(4-methyl-1-piperazinyl)methanone | C16H22N6O

{4-[(3,4-Dimethylphenyl)amino]-1H-1,2,3-triazol-5-yl}(4-methyl-1-piperazinyl)methanone

  • Molecular FormulaC16H22N6O
  • Average mass314.385 Da
  • Monoisotopic mass314.185516 Da
  • ChemSpider ID25186806

More details:

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

{4-[(3,4-Dimethylphenyl)amino]-1H-1,2,3-triazol-5-yl}(4-methyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
{4-[(3,4-Dimethylphenyl)amino]-1H-1,2,3-triazol-5-yl}(4-methyl-1-piperazinyl)methanone [ACD/IUPAC Name]
{4-[(3,4-Diméthylphényl)amino]-1H-1,2,3-triazol-5-yl}(4-méthyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [5-[(3,4-dimethylphenyl)amino]-1H-1,2,3-triazol-4-yl](4-methyl-1-piperazinyl)- [ACD/Index Name]
{5-[(3,4-dimethylphenyl)amino]-1H-1,2,3-triazol-4-yl}(4-methylpiperazin-1-yl)methanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.35
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.01
ACD/KOC (pH 7.4): 103.43
Polar Surface Area: 77 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 248.9±3.0 cm3

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