ChemSpider 2D Image | 3-(4-Methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,4-oxadiazole-5-carboxamide | C20H21N7O5

3-(4-Methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,4-oxadiazole-5-carboxamide

  • Molecular FormulaC20H21N7O5
  • Average mass439.425 Da
  • Monoisotopic mass439.160431 Da
  • ChemSpider ID29039919

More details:

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

1,2,4-Oxadiazole-5-carboxamide, N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-(2,3,4,5-tetrahydro-4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)- [ACD/Index Name]
3-(4-Methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,4-oxadiazol-5-carboxamid [German] [ACD/IUPAC Name]
3-(4-Methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,4-oxadiazole-5-carboxamide [ACD/IUPAC Name]
3-(4-Méthyl-3,5-dioxo-2-phényl-2,3,4,5-tétrahydro-1,2,4-triazin-6-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,4-oxadiazole-5-carboxamide [French] [ACD/IUPAC Name]
3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.722
Molar Refractivity: 113.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.15
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.15
Polar Surface Area: 141 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 286.2±7.0 cm3

Click to predict properties on the Chemicalize site


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