ChemSpider 2D Image | 8-[4-(3-Bromo-2-pyridinyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-a]pyrazine | C15H16BrN7

8-[4-(3-Bromo-2-pyridinyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-a]pyrazine

  • Molecular FormulaC15H16BrN7
  • Average mass374.238 Da
  • Monoisotopic mass373.065063 Da
  • ChemSpider ID127342582

More details:

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

1,2,4-Triazolo[4,3-a]pyrazine, 8-[4-(3-bromo-2-pyridinyl)hexahydro-1H-1,4-diazepin-1-yl]- [ACD/Index Name]
8-[4-(3-Brom-2-pyridinyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-a]pyrazin [German] [ACD/IUPAC Name]
8-[4-(3-Bromo-2-pyridinyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-a]pyrazine [ACD/IUPAC Name]
8-[4-(3-Bromo-2-pyridinyl)-1,4-diazépan-1-yl][1,2,4]triazolo[4,3-a]pyrazine [French] [ACD/IUPAC Name]
1-(3-bromopyridin-2-yl)-4-{[1,2,4]triazolo[4,3-a]pyrazin-8-yl}-1,4-diazepane
8-[4-(3-Bromopyridin-2-yl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.771
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 28.49
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.26
ACD/KOC (pH 7.4): 155.12
Polar Surface Area: 62 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 223.8±7.0 cm3

Click to predict properties on the Chemicalize site


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