Found 91 results

Search term: MF = 'C_{17}H_{12}N_{6}'
ChemSpider 2D Image | 4-[5-(4-Pyridinyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile | C17H12N6

4-[5-(4-Pyridinyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile

  • Molecular FormulaC17H12N6
  • Average mass300.317 Da
  • Monoisotopic mass300.112335 Da
  • ChemSpider ID26112701

More details:

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

4-[5-(4-Pyridinyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitril [German] [ACD/IUPAC Name]
4-[5-(4-Pyridinyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile [ACD/IUPAC Name]
4-[5-(4-Pyridinyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[4,7-dihydro-5-(4-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 595.6±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: 314.0±32.9 °C
Index of Refraction: 1.747
Molar Refractivity: 88.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 4.47
ACD/KOC (pH 5.5): 61.19
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.04
ACD/KOC (pH 7.4): 342.92
Polar Surface Area: 79 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 218.6±7.0 cm3

Click to predict properties on the Chemicalize site


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