ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-5-carboxylic acid | C5H4N6O3

1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-5-carboxylic acid

  • Molecular FormulaC5H4N6O3
  • Average mass196.124 Da
  • Monoisotopic mass196.034485 Da
  • ChemSpider ID60746653

More details:

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

1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-5-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-5-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)- [ACD/Index Name]
Acide 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-5-carboxylique [French] [ACD/IUPAC Name]
292836-26-1 [RN]
MFCD00456788

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

Density: 2.3±0.1 g/cm3
Boiling Point: 592.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.4±27.9 °C
Index of Refraction: 1.996
Molar Refractivity: 41.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -3.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 142.4±7.0 dyne/cm
Molar Volume: 83.6±7.0 cm3

Click to predict properties on the Chemicalize site


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