ChemSpider 2D Image | 6-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-[(6-ethyl-2-pyridinyl)amino]-3-pyridazinecarboxamide | C18H25N7O

6-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-[(6-ethyl-2-pyridinyl)amino]-3-pyridazinecarboxamide

  • Molecular FormulaC18H25N7O
  • Average mass355.437 Da
  • Monoisotopic mass355.212067 Da
  • ChemSpider ID34236155

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Pyridazinecarboxamide, 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]- [ACD/Index Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-[(6-ethyl-2-pyridinyl)amino]-3-pyridazincarboxamid [German] [ACD/IUPAC Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-[(6-ethyl-2-pyridinyl)amino]-3-pyridazinecarboxamide [ACD/IUPAC Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-[(6-éthyl-2-pyridinyl)amino]-3-pyridazinecarboxamide [French] [ACD/IUPAC Name]
6-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(6-Ethylpyridin-2-Yl)amino]pyridazine-3-Carboxamide
0VH

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

Density: 1.3±0.1 g/cm3
Boiling Point: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 14.74
Polar Surface Area: 132 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 276.2±3.0 cm3

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