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  • [Synonyms]
    BRN 0725764
    LS-110252
    5-25-12-00019 (Beilstein Handbook Reference)
    1-(6-Amino-3-pyridazinyl)-4-(3,3,3-triphenylpropyl)piperazine
    Piperazine, 1-(6-amino-3-pyridazinyl)-4-(3,3,3-triphenylpropyl)-
    36524-71-7

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight449.58994 [g/mol]
    Molecular FormulaC29H31N5
    XLogP6.3
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count7
    Tautomer Count2
    Exact Mass449.257946
    MonoIsotopic Mass449.257946
    Topological Polar Surface Area58.3
    Heavy Atom Count34
    Formal Charge0
    Complexity540
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 6-[4-[3,3,3-tri(phenyl)propyl]piperazin-1-yl]pyridazin-3-amine
    Canonical SMILES: C1CN(CCN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NN=C(C=C5)N
    InChI: InChI=1/C29H31N5/c30-27-16-17-28(32-31-27)34-22-20-33(21-23-34)19-18-29
    (24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-17H,18-23H2,
    (H2,30,31)/f/h30H2



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