ChemSpider 2D Image | [5-Amino-4-(2,4,5-trifluorophenyl)-1-cyclohexen-1-yl][3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone | C19H17F6N5O

[5-Amino-4-(2,4,5-trifluorophenyl)-1-cyclohexen-1-yl][3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone

  • Molecular FormulaC19H17F6N5O
  • Average mass445.362 Da
  • Monoisotopic mass445.133728 Da
  • ChemSpider ID22377476

More details:

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

[5-Amino-4-(2,4,5-trifluorophenyl)-1-cyclohexen-1-yl][3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone [ACD/IUPAC Name]
[5-Amino-4-(2,4,5-trifluorophényl)-1-cyclohexén-1-yl][3-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]méthanone [French] [ACD/IUPAC Name]
[5-Amino-4-(2,4,5-trifluorphenyl)-1-cyclohexen-1-yl][3-(trifluormethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [5-amino-4-(2,4,5-trifluorophenyl)-1-cyclohexen-1-yl][5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 546.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.5±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 96.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 77 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 272.0±7.0 cm3

Click to predict properties on the Chemicalize site


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