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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight281.33568 [g/mol]
    Molecular FormulaC15H17N6+
    H-Bond Donor3
    H-Bond Acceptor5
    Rotatable Bond Count4
    Tautomer Count3
    Exact Mass281.15147
    MonoIsotopic Mass281.15147
    Topological Polar Surface Area90.6
    Heavy Atom Count21
    Formal Charge1
    Complexity412
    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: 1-[[amino-[(2-methylphenyl)amino]methylidene]amino]-4-(diazonioamino)-2-
    methylbenzene
    Canonical SMILES: CC1=CC=CC=C1NC(=NC2=C(C=C(C=C2)N[N+]#N)C)N
    InChI: InChI=1/C15H16N6/c1-10-5-3-4-6-13(10)18-15(16)19-14-8-7-12(20-21-17)9-11
    (14)2/h3-9,17H,1-2H3,(H2,16,18)/p+1/fC15H17N6/h17h,18,20H,
    16H2/q+1/b19-15+



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