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  • [Synonyms]
    N,N',N''-S-TRIAZINE-2,4,6-TRIYLTRISACETAMIDE
    5637-82-1

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight252.22998 [g/mol]
    Molecular FormulaC9H12N6O3
    XLogP-1.2
    H-Bond Donor3
    H-Bond Acceptor6
    Rotatable Bond Count3
    Tautomer Count14
    Exact Mass252.097088
    MonoIsotopic Mass252.097088
    Topological Polar Surface Area126
    Heavy Atom Count18
    Formal Charge0
    Complexity283
    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: N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
    Canonical SMILES: CC(=O)NC1=NC(=NC(=N1)NC(=O)C)NC(=O)C
    InChI: InChI=1/C9H12N6O3/c1-4(16)10-7-13-8(11-5(2)17)15-9(14-7)12-6(3)18/h1-
    3H3,(H3,10,11,12,13,14,15,16,17,18)/f/h10-12H



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