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    CAS 1770840-43-1
    Also known as: 1770840-43-1, 4-amino-7-iodopyrrolo[2,1-f][1,2,4]triazine, Mfcd21607515, 4-amino-7-iodopyrrolo(2,1-f)(1,2,4)triazine, Schembl15740086, Amy19201
    Molecular Formula
    C6H5IN4
    Molecular Weight
    260.04  g/mol
    InChI Key
    ZEBGLCLVPCOXIV-UHFFFAOYSA-N
    1 2D Structure

    CAS 1770840-43-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
    2.1.2 InChI
    InChI=1S/C6H5IN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10)
    2.1.3 InChI Key
    ZEBGLCLVPCOXIV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C2C(=NC=NN2C(=C1)I)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1770840-43-1

    2. 4-amino-7-iodopyrrolo[2,1-f][1,2,4]triazine

    3. Mfcd21607515

    4. 4-amino-7-iodopyrrolo(2,1-f)(1,2,4)triazine

    5. Schembl15740086

    6. Amy19201

    7. Bcp31939

    8. Zb1792

    9. Akos037621629

    10. At16851

    11. Ac-31300

    12. Bs-43269

    13. Sy269076

    14. Db-114087

    15. Cs-0114148

    16. I1139

    17. 7-iodopyrrole[2,1-f][1,2,4]triazin-4-amine

    18. A935572

    2.3 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 260.04 g/mol
    Molecular Formula C6H5IN4
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass259.95589 g/mol
    Monoisotopic Mass259.95589 g/mol
    Topological Polar Surface Area56.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity154
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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