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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 1275904-70-5, (6-aminopyridin-3-yl)(4-ethylpiperazin-1-yl)methanone, Chembl4546232, Schembl18822758, Akos006054697, Db-102327
    Molecular Formula
    C12H18N4O
    Molecular Weight
    234.30  g/mol
    InChI Key
    ZUNLIVVWFDQFJW-UHFFFAOYSA-N
    CAS 1275904-70-5
    1 2D Structure

    CAS 1275904-70-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6-aminopyridin-3-yl)-(4-ethylpiperazin-1-yl)methanone
    2.1.2 InChI
    InChI=1S/C12H18N4O/c1-2-15-5-7-16(8-6-15)12(17)10-3-4-11(13)14-9-10/h3-4,9H,2,5-8H2,1H3,(H2,13,14)
    2.1.3 InChI Key
    ZUNLIVVWFDQFJW-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1275904-70-5

    2. (6-aminopyridin-3-yl)(4-ethylpiperazin-1-yl)methanone

    3. Chembl4546232

    4. Schembl18822758

    5. Akos006054697

    6. Db-102327

    7. Cs-0284676

    8. En300-181704

    9. A1-80448

    2.3 Create Date
    2012-01-24
    3 Chemical and Physical Properties
    Molecular Weight 234.30 g/mol
    Molecular Formula C12H18N4O
    XLogP30.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area62.5
    Heavy Atom Count17
    Formal Charge0
    Complexity263
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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