Cas no 5117-44-2 (2-pyrazin-2-ylacetonitrile)

2-pyrazin-2-ylacetonitrile structure
2-pyrazin-2-ylacetonitrile structure
Product Name:2-pyrazin-2-ylacetonitrile
CAS No:5117-44-2
MF:C6H5N3
MW:119.124000310898
MDL:MFCD10697794
CID:821435
PubChem ID:12782906
Update Time:2025-04-19

2-pyrazin-2-ylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrazineacetonitrile
    • 2-(PYRAZIN-2-YL)ACETONITRILE
    • 2-pyrazin-2-ylacetonitrile
    • 2-Pyrazinyl acetonitrile
    • Pyrazin-2-yl-acetonitrile
    • CS-0053750
    • DB-071315
    • (Pyrazin-2-yl)acetonitrile
    • SCHEMBL3680699
    • AS-35428
    • SY138489
    • AKOS012506218
    • Pyrazineacetonitrile
    • PB16294
    • DTXSID60509761
    • pyrazinylacetonitrile
    • 2-Pyrazineacetonitrile;Pyrazineacetonitrile
    • MFCD10697794
    • 5117-44-2
    • IMDVGMNGUNXHQJ-UHFFFAOYSA-N
    • 2-pyrazinylacetonitrile
    • Z1098233793
    • PYRAZIN-2-YLACETONITRILE
    • EN300-102336
    • MDL: MFCD10697794
    • Inchi: 1S/C6H5N3/c7-2-1-6-5-8-3-4-9-6/h3-5H,1H2
    • InChI Key: IMDVGMNGUNXHQJ-UHFFFAOYSA-N
    • SMILES: N1C=CN=CC=1CC#N

Computed Properties

  • Exact Mass: 119.048347172g/mol
  • Monoisotopic Mass: 119.048347172g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 124
  • 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: -0.5
  • Topological Polar Surface Area: 49.6?2

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