ChemSpider 2D Image | N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine | C21H25F3N6O2

N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

  • Molecular FormulaC21H25F3N6O2
  • Average mass450.457 Da
  • Monoisotopic mass450.199097 Da
  • ChemSpider ID28496155

More details:

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

3H-1,2,3-Triazolo[4,5-b]pyridin-5-amine, N-[[1-(2-methoxyethyl)-4-piperidinyl]methyl]-3-[3-(trifluoromethoxy)phenyl]- [ACD/Index Name]
N-{[1-(2-Methoxyethyl)-4-piperidinyl]methyl}-3-[3-(trifluormethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amin [German] [ACD/IUPAC Name]
N-{[1-(2-Methoxyethyl)-4-piperidinyl]methyl}-3-[3-(trifluoromethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine [ACD/IUPAC Name]
N-{[1-(2-Méthoxyéthyl)-4-pipéridinyl]méthyl}-3-[3-(trifluorométhoxy)phényl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 546.9±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: 284.6±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.82
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 15.46
ACD/KOC (pH 7.4): 120.92
Polar Surface Area: 77 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 322.9±7.0 cm3

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