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  • NSC314900,69141-73-7, 7-methyl-[1,2,4]triazolo[5,1-f]pyrimidine,Canoni
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC314900
    69141-73-7

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight134.13864 [g/mol]
    Molecular FormulaC6H6N4
    XLogP-1.3
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count0
    Exact Mass134.059246
    MonoIsotopic Mass134.059246
    Topological Polar Surface Area43.1
    Heavy Atom Count10
    Formal Charge0
    Complexity127
    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: 7-methyl-[1,2,4]triazolo[5,1-f]pyrimidine
    Canonical SMILES: CC1=CC2=NC=NN2C=N1
    InChI: InChI=1/C6H6N4/c1-5-2-6-7-3-9-10(6)4-8-5/h2-4H,1H3

    ChemDrug版权识别码:205328060658358166411
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