ChemSpider 2D Image | (4,7-Dioxo-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-d]pyridazin-1-yl)acetonitrile | C6H4N6O2

(4,7-Dioxo-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-d]pyridazin-1-yl)acetonitrile

  • Molecular FormulaC6H4N6O2
  • Average mass192.135 Da
  • Monoisotopic mass192.039566 Da
  • ChemSpider ID73100568

More details:

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

(4,7-Dioxo-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-d]pyridazin-1-yl)acetonitril [German] [ACD/IUPAC Name]
(4,7-Dioxo-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-d]pyridazin-1-yl)acetonitrile [ACD/IUPAC Name]
(4,7-Dioxo-4,5,6,7-tétrahydro-1H-[1,2,3]triazolo[4,5-d]pyridazin-1-yl)acétonitrile [French] [ACD/IUPAC Name]
1H-1,2,3-Triazolo[4,5-d]pyridazine-1-acetonitrile, 4,5,6,7-tetrahydro-4,7-dioxo- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.947
Molar Refractivity: 44.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.96
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.23
Polar Surface Area: 113 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 119.6±7.0 dyne/cm
Molar Volume: 93.2±7.0 cm3

Click to predict properties on the Chemicalize site


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