ChemSpider 2D Image | N-(4-Fluorophenyl)-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide | C21H19FN6O2

N-(4-Fluorophenyl)-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide

  • Molecular FormulaC21H19FN6O2
  • Average mass406.413 Da
  • Monoisotopic mass406.155365 Da
  • ChemSpider ID26319885

More details:

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

1,2,4-Triazolo[4,3-c]pyrimidine-2(3H)-acetamide, N-(4-fluorophenyl)-7-methyl-5-[(2-methylphenyl)amino]-3-oxo- [ACD/Index Name]
N-(4-Fluorophenyl)-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide [ACD/IUPAC Name]
N-(4-Fluorophényl)-2-{7-méthyl-5-[(2-méthylphényl)amino]-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acétamide [French] [ACD/IUPAC Name]
N-(4-Fluorphenyl)-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamid [German] [ACD/IUPAC Name]
1251676-60-4 [RN]
N-(4-fluorophenyl)-2-(7-methyl-3-oxo-5-(o-tolylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(4-fluorophenyl)-2-[7-methyl-5-(2-methylanilino)-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
N-(4-fluorophenyl)-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamide
N1-(4-fluorophenyl)-2-[7-methyl-3-oxo-5-(2-toluidino)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

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: 1.679
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.47
ACD/KOC (pH 5.5): 465.62
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.47
ACD/KOC (pH 7.4): 465.63
Polar Surface Area: 89 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 292.5±7.0 cm3

Click to predict properties on the Chemicalize site


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