ChemSpider 2D Image | 3-Methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carboxylic acid | C6H5N5O2

3-Methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carboxylic acid

  • Molecular FormulaC6H5N5O2
  • Average mass179.136 Da
  • Monoisotopic mass179.044327 Da
  • ChemSpider ID32865015

More details:






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

3H-1,2,3-Triazolo[4,5-d]pyrimidine-7-carboxylic acid, 3-methyl- [ACD/Index Name]
3-Methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-carbonsäure [German] [ACD/IUPAC Name]
3-Methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carboxylic acid [ACD/IUPAC Name]
Acide 3-méthyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carboxylique [French] [ACD/IUPAC Name]
1095822-43-7 [RN]
MFCD20660140

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 478.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.4±23.2 °C
Index of Refraction: 1.854
Molar Refractivity: 42.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -3.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 89.3±7.0 dyne/cm
Molar Volume: 95.5±7.0 cm3

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