Cas no 81411-78-1 (3-oxo-3,4-dihydropyrazine-2-carbonitrile)

3-oxo-3,4-dihydropyrazine-2-carbonitrile structure
81411-78-1 structure
Product Name:3-oxo-3,4-dihydropyrazine-2-carbonitrile
CAS No:81411-78-1
MF:C5H3N3O
MW:121.096820116043
MDL:MFCD10697786
CID:703982
PubChem ID:12913763
Update Time:2025-09-19

3-oxo-3,4-dihydropyrazine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3,4-dihydro-3-oxo-2-Pyrazinecarbonitrile
    • 2-oxo-1H-pyrazine-3-carbonitrile
    • 3-OXO-3,4-DIHYDROPYRAZINE-2-CARBONITRILE
    • Pyrazinecarbonitrile, 3,4-dihydro-3-oxo-
    • 3-Oxo-3,4-dihydro-2-pyrazinecarbonitrile
    • SCHEMBL14626138
    • CS-0377269
    • EN300-265911
    • AM20070389
    • RDCUCJMNMLUNLB-UHFFFAOYSA-N
    • AKOS011978766
    • AB60492
    • 3-hydroxypyrazine-2-carbonitrile
    • 2-Pyrazinecarbonitrile, 3,4-dihydro-3-oxo
    • cyanopyrazinone
    • 81411-78-1
    • SCHEMBL1558807
    • DTXSID90512809
    • starbld0031491
    • FT-0688623
    • Z995023286
    • 3-oxo-3,4-dihydropyrazine-2-carbonitrile
    • MDL： MFCD10697786
    • Inchi： 1S/C5H3N3O/c6-3-4-5(9)8-2-1-7-4/h1-2H,(H,8,9)
    • InChI Key： RDCUCJMNMLUNLB-UHFFFAOYSA-N
    • SMILES： O=C1C(C#N)=NC=CN1

Computed Properties

  • Exact Mass: 121.027611728g/mol
  • Monoisotopic Mass: 121.027611728g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 242
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 65.2?2

Experimental Properties

  • Density: 1.38
  • Melting Point: 192-194 oC

3-oxo-3,4-dihydropyrazine-2-carbonitrile Pricemore >>

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Enamine
EN300-265911-0.25g
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