ChemSpider 2D Image | (1-Methyl-1H-indol-3-yl)[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone | C16H14F3N5O

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

  • Molecular FormulaC16H14F3N5O
  • Average mass349.310 Da
  • Monoisotopic mass349.115051 Da
  • ChemSpider ID31100456

More details:

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

(1-Methyl-1H-indol-3-yl)[3-(trifluormethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanon [German] [ACD/IUPAC Name]
(1-Methyl-1H-indol-3-yl)[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone [ACD/IUPAC Name]
(1-Méthyl-1H-indol-3-yl)[3-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl](1-methyl-1H-indol-3-yl)- [ACD/Index Name]
(1-methylindol-3-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
1401558-76-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.2±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 84.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.31
ACD/KOC (pH 5.5): 351.62
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.31
ACD/KOC (pH 7.4): 351.62
Polar Surface Area: 56 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 228.4±7.0 cm3

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