ChemSpider 2D Image | 7-[(2-Amino-5-chloro-3-pyridinyl)sulfonyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid | C12H13ClN6O4S

7-[(2-Amino-5-chloro-3-pyridinyl)sulfonyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

  • Molecular FormulaC12H13ClN6O4S
  • Average mass372.787 Da
  • Monoisotopic mass372.040741 Da
  • ChemSpider ID75365141

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-[(2-amino-5-chloro-3-pyridinyl)sulfonyl]-5,6,7,8-tetrahydro-3-methyl- [ACD/Index Name]
7-[(2-Amino-5-chlor-3-pyridinyl)sulfonyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-6-carbonsäure [German] [ACD/IUPAC Name]
7-[(2-Amino-5-chloro-3-pyridinyl)sulfonyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid [ACD/IUPAC Name]
Acide 7-[(2-amino-5-chloro-3-pyridinyl)sulfonyl]-3-méthyl-5,6,7,8-tétrahydro[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: 737.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.7±35.7 °C
Index of Refraction: 1.816
Molar Refractivity: 85.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 88.7±7.0 dyne/cm
Molar Volume: 196.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement