ChemSpider 2D Image | 7-[(3-Aminophenyl)sulfonyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid | C12H13N5O5S

7-[(3-Aminophenyl)sulfonyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

  • Molecular FormulaC12H13N5O5S
  • Average mass339.327 Da
  • Monoisotopic mass339.063751 Da
  • ChemSpider ID63913282

More details:

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

1,2,4-Triazolo[4,3-a]pyrazine-6-carboxylic acid, 7-[(3-aminophenyl)sulfonyl]-2,3,5,6,7,8-hexahydro-3-oxo- [ACD/Index Name]
7-[(3-Aminophenyl)sulfonyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyrazin-6-carbonsäure [German] [ACD/IUPAC Name]
7-[(3-Aminophenyl)sulfonyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid [ACD/IUPAC Name]
Acide 7-[(3-aminophényl)sulfonyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.820
Molar Refractivity: 78.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.41
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 97.5±7.0 dyne/cm
Molar Volume: 180.2±7.0 cm3

Click to predict properties on the Chemicalize site


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