ChemSpider 2D Image | 2-[8-(3,5-Dimethyl-1-piperidinyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide | C21H23F3N6O2

2-[8-(3,5-Dimethyl-1-piperidinyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

  • Molecular FormulaC21H23F3N6O2
  • Average mass448.441 Da
  • Monoisotopic mass448.183472 Da
  • ChemSpider ID26316785

More details:

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

1,2,4-Triazolo[4,3-a]pyrazine-2(3H)-acetamide, 8-(3,5-dimethyl-1-piperidinyl)-3-oxo-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
2-[8-(3,5-Dimethyl-1-piperidinyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(trifluormethyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-[8-(3,5-Dimethyl-1-piperidinyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide [ACD/IUPAC Name]
2-[8-(3,5-Diméthyl-1-pipéridinyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(trifluorométhyl)phényl]acétamide [French] [ACD/IUPAC Name]
1251569-33-1 [RN]
2-(8-(3,5-dimethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)-N-(3-(trifluoromethyl)phenyl)acetamide
2-[8-(3,5-dimethylpiperidin-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4529275/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 111.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.89
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 7.17
ACD/KOC (pH 7.4): 81.77
Polar Surface Area: 81 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 309.7±7.0 cm3

Click to predict properties on the Chemicalize site


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