ChemSpider 2D Image | 5-Methyl-6-oxo-1,2,5,6-tetrahydro-4aH-imidazo[4,5-e][1,2,4]triazine-4a-carboxylic acid | C6H7N5O3

5-Methyl-6-oxo-1,2,5,6-tetrahydro-4aH-imidazo[4,5-e][1,2,4]triazine-4a-carboxylic acid

  • Molecular FormulaC6H7N5O3
  • Average mass197.152 Da
  • Monoisotopic mass197.054886 Da
  • ChemSpider ID21537571

More details:

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

4aH-Imidazo[4,5-e]-1,2,4-triazine-4a-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-6-oxo- [ACD/Index Name]
5-Methyl-6-oxo-1,2,5,6-tetrahydro-4aH-imidazo[4,5-e][1,2,4]triazin-4a-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-6-oxo-1,2,5,6-tetrahydro-4aH-imidazo[4,5-e][1,2,4]triazine-4a-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-6-oxo-1,2,5,6-tétrahydro-4aH-imidazo[4,5-e][1,2,4]triazine-4a-carboxylique [French] [ACD/IUPAC Name]
5-methyl-6-oxo-4,5,6,7-tetrahydro-4aH-imidazo[4,5-e][1,2,4]triazine-4a-carboxylic acid
97943-27-6 [RN]
MFCD00459816

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.859
Molar Refractivity: 44.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 104.7±7.0 dyne/cm
Molar Volume: 98.2±7.0 cm3

Click to predict properties on the Chemicalize site


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