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    CAS 159326-68-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 159326-68-8, Pyrrolo[1,2-f][1,2,4]triazin-4-amine, 4-aminopyrrolo[2,1-f][1,2,4]triazine, Chembl3326650, Mfcd08234647, 4-aminopyrrolo<2,1-f><1,2,4>triazine
    Molecular Formula
    C6H6N4
    Molecular Weight
    134.14  g/mol
    InChI Key
    VSPXQZSDPSOPRO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pyrrolo[2,1-f][1,2,4]triazin-4-amine
    2.1.2 InChI
    InChI=1S/C6H6N4/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H,(H2,7,8,9)
    2.1.3 InChI Key
    VSPXQZSDPSOPRO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN2C(=C1)C(=NC=N2)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 159326-68-8

    2. Pyrrolo[1,2-f][1,2,4]triazin-4-amine

    3. 4-aminopyrrolo[2,1-f][1,2,4]triazine

    4. Chembl3326650

    5. Mfcd08234647

    6. 4-aminopyrrolo<2,1-f><1,2,4>triazine

    7. 4-amino-pyrrolo[2,1-f][1,2,4]triazin

    8. Pyrrolo[2,1-f][1,2,4]triazin-4-ylamine

    9. Schembl58274

    10. Amot0376

    11. Dtxsid60439872

    12. Bcp21731

    13. Zinc8764136

    14. Bdbm50058690

    15. (r)-2-aminocyclohenanol Hydrochloride

    16. Akos005206763

    17. Am85611

    18. Cs-w003471

    19. Pb17489

    20. Ac-31298

    21. Am807056

    22. Sy015727

    23. Ts-01733

    24. 4-aminopyrrolo[2,1-f][1,2,4]-triazine

    25. Db-024277

    26. Ft-0684945

    27. Pyrrolo[2,1-f][1,2,4]-triazin-4-amine

    28. 8h-pyrrolo[2,1-f][1,2,4]triazin-4-yl-amine

    29. A810019

    30. 4-amino-pyrrolo[2,1-f][1,2,4]triazine

    31. W-205841

    32. Pyrrolo[1,2-f][1,2,4]triazin-4-amine, Aldrichcpr

    33. Pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-aminopyrrolo[2,1-f][1,2,4]triazine

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 134.14 g/mol
    Molecular Formula C6H6N4
    XLogP30.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass134.059246208 g/mol
    Monoisotopic Mass134.059246208 g/mol
    Topological Polar Surface Area56.2 Ų
    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