ChemSpider 2D Image | 6-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-[(5,6-dimethyl-2-pyridinyl)amino]-3-pyridazinecarboxamide | C18H25N7O

6-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-[(5,6-dimethyl-2-pyridinyl)amino]-3-pyridazinecarboxamide

  • Molecular FormulaC18H25N7O
  • Average mass355.437 Da
  • Monoisotopic mass355.212067 Da
  • ChemSpider ID34236434

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1446790-62-0 [RN]
3-Pyridazinecarboxamide, 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]- [ACD/Index Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-[(5,6-dimethyl-2-pyridinyl)amino]-3-pyridazincarboxamid [German] [ACD/IUPAC Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-[(5,6-dimethyl-2-pyridinyl)amino]-3-pyridazinecarboxamide [ACD/IUPAC Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-[(5,6-diméthyl-2-pyridinyl)amino]-3-pyridazinecarboxamide [French] [ACD/IUPAC Name]
6-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(5,6-Dimethylpyridin-2-Yl)amino]pyridazine-3-Carboxamide
0XF
2-(4-Boc-piperazin-1-yl)aniline
6-[(1r,2s)-2-amino-cyclohexylamino]-4-(5,6-dimethyl-pyridin-2-ylamino)-pyridazine-3-carboxylic acid amide
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 618.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.7±3.0 kJ/mol
    Flash Point: 327.9±31.5 °C
    Index of Refraction: 1.667
    Molar Refractivity: 102.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 4.97
    ACD/LogD (pH 5.5): -0.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.98
    ACD/BCF (pH 7.4): 1.26
    ACD/KOC (pH 7.4): 13.24
    Polar Surface Area: 132 Å2
    Polarizability: 40.7±0.5 10-24cm3
    Surface Tension: 66.8±3.0 dyne/cm
    Molar Volume: 275.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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