ChemSpider 2D Image | (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | C17H17F6N5O

(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE

  • Molecular FormulaC17H17F6N5O
  • Average mass421.340 Da
  • Monoisotopic mass421.133728 Da
  • ChemSpider ID24682467
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
(3R)-3-Amino-1-[(8R)-8-methyl-2-(trifluormethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorphenyl)-1-butanon [German] [ACD/IUPAC Name]
(3R)-3-Amino-1-[(8R)-8-methyl-2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1-butanone [ACD/IUPAC Name]
(3R)-3-Amino-1-[(8R)-8-méthyl-2-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophényl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 3-amino-1-[(8R)-5,6-dihydro-8-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (3R)- [ACD/Index Name]
(3R)-3-amino-1-[(4R)-4-methyl-2-(trifluoromethyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
(3R)-3-amino-1-[(8R)-8-methyl-2-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
(3R)-3-amino-1-[(8R)-8-methyl-2-(trifluoromethyl)-5H,6H,8H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CHEMBL250787

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

Density: 1.6±0.1 g/cm3
Boiling Point: 530.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.8±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 89.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.29
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 7.79
ACD/KOC (pH 7.4): 142.69
Polar Surface Area: 77 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 267.5±7.0 cm3

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