ChemSpider 2D Image | 3-(2-Chlorobenzyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine | C12H13ClN4

3-(2-Chlorobenzyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

  • Molecular FormulaC12H13ClN4
  • Average mass248.711 Da
  • Monoisotopic mass248.082870 Da
  • ChemSpider ID40662588

More details:

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

1,2,4-Triazolo[4,3-a]pyrazine, 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro- [ACD/Index Name]
3-(2-Chlorbenzyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin [German] [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-5,6,7,8-tétrahydro[1,2,4]triazolo[4,3-a]pyrazine [French] [ACD/IUPAC Name]
1283439-01-9 [RN]
3-[(2-chlorophenyl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
MFCD17995588

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

Density: 1.4±0.1 g/cm3
Boiling Point: 473.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.3±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 67.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.61
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.38
ACD/KOC (pH 7.4): 167.21
Polar Surface Area: 43 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 174.5±7.0 cm3

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