Free Chemical Databases



  • [Synonyms]
    NSC168673
    AIDS127544
    AIDS-127544
    NSC 168673
    N-(4,6-Dichloro-1,3,5-triazin-2-yl)-4-morpholinecarboxamide
    5180-96-1

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight278.09536 [g/mol]
    Molecular FormulaC8H9Cl2N5O2
    XLogP-0.3
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count1
    Tautomer Count4
    Exact Mass277.01333
    MonoIsotopic Mass277.01333
    Topological Polar Surface Area80.2
    Heavy Atom Count17
    Formal Charge0
    Complexity267
    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-dichloro-1,3,5-triazin-2-yl)morpholine-4-carboxamide
    Canonical SMILES: C1COCCN1C(=O)NC2=NC(=NC(=N2)Cl)Cl
    InChI: InChI=1/C8H9Cl2N5O2/c9-5-11-6(10)13-7(12-5)14-8(16)15-1-3-17-4-2-15/h1-
    4H2,(H,11,12,13,14,16)/f/h14H



.1875