ChemSpider 2D Image | 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile | C19H20F3N5O2

3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile

  • Molecular FormulaC19H20F3N5O2
  • Average mass407.390 Da
  • Monoisotopic mass407.156921 Da
  • ChemSpider ID24663167

More details:






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

1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-3,5-dioxo-4-[3-(1-piperidinyl)propyl]-2-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
3,5-Dioxo-4-[3-(1-piperidinyl)propyl]-2-[3-(trifluormethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-6-carbonitril [German] [ACD/IUPAC Name]
3,5-Dioxo-4-[3-(1-piperidinyl)propyl]-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile [ACD/IUPAC Name]
3,5-Dioxo-4-[3-(1-pipéridinyl)propyl]-2-[3-(trifluorométhyl)phényl]-2,3,4,5-tétrahydro-1,2,4-triazine-6-carbonitrile [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 489.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.5±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.82
Polar Surface Area: 80 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 295.3±7.0 cm3

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