ChemSpider 2D Image | 8-Amino-6-methyl[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one | C5H6N6O

8-Amino-6-methyl[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one

  • Molecular FormulaC5H6N6O
  • Average mass166.141 Da
  • Monoisotopic mass166.060303 Da
  • ChemSpider ID21783421

More details:

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

1,2,4-Triazolo[4,3-b][1,2,4]triazin-7(8H)-one, 8-amino-6-methyl- [ACD/Index Name]
8-Amino-6-methyl[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-on [German] [ACD/IUPAC Name]
8-Amino-6-methyl[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one [ACD/IUPAC Name]
8-Amino-6-méthyl[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one [French] [ACD/IUPAC Name]
91113-82-5 [RN]
MFCD09880628

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

Density: 2.0±0.1 g/cm3
Boiling Point: 371.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 178.1±23.2 °C
Index of Refraction: 1.921
Molar Refractivity: 40.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.52
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.16
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.25
Polar Surface Area: 89 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 103.3±7.0 dyne/cm
Molar Volume: 84.9±7.0 cm3

Click to predict properties on the Chemicalize site


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