ChemSpider 2D Image | (1Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1-buten-1-ol | C16H15F6N5O

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

  • Molecular FormulaC16H15F6N5O
  • Average mass407.314 Da
  • Monoisotopic mass407.118073 Da
  • ChemSpider ID95582588

More details:

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

(1Z)-3-Amino-1-[3-(trifluormethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorphenyl)-1-buten-1-ol [German] [ACD/IUPAC Name]
(1Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1-buten-1-ol [ACD/IUPAC Name]
(1Z)-3-Amino-1-[3-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophényl)-1-butén-1-ol [French] [ACD/IUPAC Name]
1,2,4-Triazolo[4,3-a]pyrazine-7(8H)-methanol, α-[2-amino-3-(2,4,5-trifluorophenyl)propylidene]-5,6-dihydro-3-(trifluoromethyl)-, (αZ)- [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: 583.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 306.8±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 85.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.25
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.59
ACD/KOC (pH 7.4): 100.09
Polar Surface Area: 80 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 252.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement