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    CAS 36725-28-7

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 36725-28-7, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2h)-pyridazinone, 6-(4-aminophenyl)-5-methyl-4,5-dihydro-2h-pyridazin-3-one, Levosimendan dazinones intermediates, 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1h-pyridazin-6-one, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2h)pyridazinone
    Molecular Formula
    C11H13N3O
    Molecular Weight
    203.24  g/mol
    InChI Key
    GDMRFHZLKNYRRO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
    2.1.2 InChI
    InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)
    2.1.3 InChI Key
    GDMRFHZLKNYRRO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CC(=O)NN=C1C2=CC=C(C=C2)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 6-(4'-aminophenyl)-4,5-dihydro-5-methylpyridazin-3-one

    2. Ici 109,081

    2.2.2 Depositor-Supplied Synonyms

    1. 36725-28-7

    2. 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2h)-pyridazinone

    3. 6-(4-aminophenyl)-5-methyl-4,5-dihydro-2h-pyridazin-3-one

    4. Levosimendan Dazinones Intermediates

    5. 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1h-pyridazin-6-one

    6. 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2h)pyridazinone

    7. 3(2h)-pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-

    8. Ici 109,081

    9. Mfcd01692712

    10. Ici-109081

    11. 107295-33-0

    12. 6-(4'-aminophenyl)-4,5-dihydro-5-methylpyridazin-3-one

    13. 6-(p-aminophenyl)-5-methyl-4,5-dihydropyridazinone

    14. 3(4-aminophenyl)-4-methyl-4,5-dihydro-1h-pyridazin-6-one

    15. Levosimendan Impurity 5

    16. Schembl934905

    17. Chembl301353

    18. Niosh/ur6330000

    19. Dtxsid10957950

    20. 3(2h)-pyridazinone,6-(4-aminophenyl)-4,5-dihydro-5-methyl-

    21. Amy24999

    22. Bcp22084

    23. Ac-069

    24. Akos015855644

    25. Cs-w022429

    26. Gs-3262

    27. Sy023998

    28. Ls-129868

    29. Ft-0600355

    30. Ft-0639333

    31. Ur63300000

    32. A800375

    33. 6-(4-aminophenyl)-4,5-dihydro-5-methylpyridazinone

    34. J-518018

    35. 6-(p-aminophenyl)-5-methyl-4,5-dihydropyridaz-3-one

    36. Brd-a21608060-001-01-7

    37. 6-(4-aminophenyl)-5-methyl-4,5-dihydropyridazin-3-ol

    38. 6-(4-aminophenyl)-4,5-dihydro-5-methylpyridazin-3(2h)one

    39. 6-(p-aminophenyl)-4,5-dihydro5-methyl-3(2h)-pyridazinone

    40. (6-(4-aminophenyl)-5-methyl-4,5-dihydro-3(2h)-pyridazinone)

    41. 3(2h)-pyridazinone, 4,5-dihydro-6-(p-aminophenyl)-5-methyl-

    42. 4,5-dihydro-6-(4-aminophenyl)-5-methyl-3(2h) Pyridazinone

    43. 4,5-dihydro-6-(4-aminophenyl)-5-methyl-3(2h)-pyridazinone

    44. 6-(4-amino-phenyl)-5-methyl-4,5-dihydro-3(2h)-pyridazinone

    45. 6-(4-aminophenyl)-5-methyl-4,5-dihydro -3(2h)-pyridazinone

    46. 6-(4-aminophenyl)-5-methyl-4,5-dihydro-3(2h)-pyridazinone

    47. 6-(p-aminophenyl)-4,5-dihydro-5-methyl-3(2h)-pyridazinone

    48. 6-(p-aminophenyl)-5-methyl-4,5-dihydro-3(2h)-pyridazinone

    49. (-)-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3-(2h)-pyridazinone

    50. (-)-6-(4-aminophenyl)-5-methyl-4,5-dihydro-3(2h)-pyridazinone

    51. 6-(4-aminophenyl)-5-methyl-2,3,4,5-tetrahydropyridazin-3-one

    52. 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1h-pyridazin-6-one;(r)-6-(4-aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 203.24 g/mol
    Molecular Formula C11H13N3O
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area67.5
    Heavy Atom Count15
    Formal Charge0
    Complexity280
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1