ChemSpider 2D Image | 3-Cyclopropyl-7-[(1-phenyl-1H-tetrazol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine | C16H18N8

3-Cyclopropyl-7-[(1-phenyl-1H-tetrazol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

  • Molecular FormulaC16H18N8
  • Average mass322.368 Da
  • Monoisotopic mass322.165436 Da
  • ChemSpider ID29824973

More details:

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

1,2,4-Triazolo[4,3-a]pyrazine, 3-cyclopropyl-5,6,7,8-tetrahydro-7-[(1-phenyl-1H-tetrazol-5-yl)methyl]- [ACD/Index Name]
3-Cyclopropyl-7-[(1-phenyl-1H-tetrazol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin [German] [ACD/IUPAC Name]
3-Cyclopropyl-7-[(1-phenyl-1H-tetrazol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine [ACD/IUPAC Name]
3-Cyclopropyl-7-[(1-phényl-1H-tétrazol-5-yl)méthyl]-5,6,7,8-tétrahydro[1,2,4]triazolo[4,3-a]pyrazine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 595.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.2±32.9 °C
Index of Refraction: 1.847
Molar Refractivity: 90.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 76.70
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 79.01
Polar Surface Area: 78 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 75.2±7.0 dyne/cm
Molar Volume: 203.5±7.0 cm3

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