ChemSpider 2D Image | 3-Amino-1,5-diimino-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-6-carboxylic acid | C6H6N6O2

3-Amino-1,5-diimino-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-6-carboxylic acid

  • Molecular FormulaC6H6N6O2
  • Average mass194.151 Da
  • Monoisotopic mass194.055222 Da
  • ChemSpider ID23978976

More details:

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

1H,5H-Pyrazolo[1,2-a][1,2,4]triazole-6-carboxylic acid, 2,3-dihydro-1,3,5-triimino- [ACD/Index Name]
3-Amino-1,5-diimino-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-6-carbonsäure [German] [ACD/IUPAC Name]
3-Amino-1,5-diimino-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-6-carboxylic acid [ACD/IUPAC Name]
Acide 3-amino-1,5-diimino-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-6-carboxylique [French] [ACD/IUPAC Name]
1,3,5-triimino-1,2,3,5-tetrahydropyrazolo[1,2-a][1,2,4]triazole-6-carboxylic acid
121447-39-0 [RN]
1H,5H-PYRAZOLO[1,2-A]-S-TRIAZOLE-6-CARBOXYLIC ACID 2,3-DIHYDRO-1,3,5-TRIIMINO-
1H,5H-Pyrazolo[1,2-a]-s-triazole-6-carboxylic acid, 2,3-dihydro-1,3,5-triimino-
1H,5H-Pyrazolo[1,2-a]-s-triazole-6-carboxylicacid,2,3-dihydro-1,3,5-triimino-
1H,7H-Pyrazolo[1,2-a][1,2,4]triazole-6-carboxylicacid, 3-amino-1,7-diimino-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.3±0.1 g/cm3
Boiling Point: 267.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.7±6.0 kJ/mol
Flash Point: 115.8±30.1 °C
Index of Refraction: 2.067
Molar Refractivity: 43.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.88
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 161.6±7.0 dyne/cm
Molar Volume: 83.4±7.0 cm3

Click to predict properties on the Chemicalize site


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