ChemSpider 2D Image | 5-(1-{[3-(2-Methyl-2-propanyl)-1,4-cyclopentadien-1-yl]methyl}-3-piperidinyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine | C21H26F3N5

5-(1-{[3-(2-Methyl-2-propanyl)-1,4-cyclopentadien-1-yl]methyl}-3-piperidinyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine

  • Molecular FormulaC21H26F3N5
  • Average mass405.460 Da
  • Monoisotopic mass405.214020 Da
  • ChemSpider ID21756829

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine, 5-[1-[[3-(1,1-dimethylethyl)-1,4-cyclopentadien-1-yl]methyl]-3-piperidinyl]-7-(trifluoromethyl)- [ACD/Index Name]
5-(1-{[3-(2-Methyl-2-propanyl)-1,4-cyclopentadien-1-yl]methyl}-3-piperidinyl)-7-(trifluormethyl)[1,2,4]triazolo[1,5-a]pyrimidin [German] [ACD/IUPAC Name]
5-(1-{[3-(2-Methyl-2-propanyl)-1,4-cyclopentadien-1-yl]methyl}-3-piperidinyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine [ACD/IUPAC Name]
5-(1-{[3-(2-Méthyl-2-propanyl)-1,4-cyclopentadién-1-yl]méthyl}-3-pipéridinyl)-7-(trifluorométhyl)[1,2,4]triazolo[1,5-a]pyrimidine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 106.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 8.16
ACD/KOC (pH 5.5): 42.32
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 346.35
ACD/KOC (pH 7.4): 1795.97
Polar Surface Area: 46 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 309.0±7.0 cm3

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