ChemSpider 2D Image | 2-Amino-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)-1,4-butanedione | C16H13F6N5O2

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

  • Molecular FormulaC16H13F6N5O2
  • Average mass421.297 Da
  • Monoisotopic mass421.097351 Da
  • ChemSpider ID77503970

More details:

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

1,4-Butanedione, 2-amino-4-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)- [ACD/Index Name]
2-Amino-4-[3-(trifluormethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorphenyl)-1,4-butandion [German] [ACD/IUPAC Name]
2-Amino-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)-1,4-butanedione [ACD/IUPAC Name]
2-Amino-4-[3-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophényl)-1,4-butanedione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 588.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.4±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 86.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 44.57
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 49.85
Polar Surface Area: 94 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 249.6±7.0 cm3

Click to predict properties on the Chemicalize site


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