ChemSpider 2D Image | 3-Methyl[1,2,4]triazolo[5,1-c][1,2,4]triazine-4,7(1H,6H)-dione | C5H5N5O2

3-Methyl[1,2,4]triazolo[5,1-c][1,2,4]triazine-4,7(1H,6H)-dione

  • Molecular FormulaC5H5N5O2
  • Average mass167.126 Da
  • Monoisotopic mass167.044327 Da
  • ChemSpider ID23368301

More details:

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

[1,2,4]Triazolo[5,1-c][1,2,4]triazine-4,7(6H,8H)-dione, 3-methyl- [ACD/Index Name]
3-Methyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4,7(1H,6H)-dion [German] [ACD/IUPAC Name]
3-Methyl[1,2,4]triazolo[5,1-c][1,2,4]triazine-4,7(1H,6H)-dione [ACD/IUPAC Name]
3-Méthyl[1,2,4]triazolo[5,1-c][1,2,4]triazine-4,7(1H,6H)-dione [French] [ACD/IUPAC Name]
3-Methyl[1,2,4]triazolo[5,1-c][1,2,4]triazine-4,7(6H,8H)-dione

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.945
Molar Refractivity: 38.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.94
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.82
ACD/LogD (pH 7.4): -1.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 86 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 106.5±7.0 dyne/cm
Molar Volume: 79.3±7.0 cm3

Click to predict properties on the Chemicalize site


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