Cas no 1018975-33-1 (1H-Indazole-4,5-dicarbonitrile)

1H-Indazole-4,5-dicarbonitrile structure
1018975-33-1 structure
Product Name:1H-Indazole-4,5-dicarbonitrile
CAS No:1018975-33-1
MF:C9H4N4
MW:168.154860496521
CID:1096478
PubChem ID:67404829
Update Time:2025-04-20

1H-Indazole-4,5-dicarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole-4,5-dicarbonitrile
    • 1018975-33-1
    • DTXSID101306800
    • SCHEMBL2430327
    • DA-29353
    • MB14922
    • Inchi: 1S/C9H4N4/c10-3-6-1-2-9-8(5-12-13-9)7(6)4-11/h1-2,5H,(H,12,13)
    • InChI Key: NKISRWGIXHHXDB-UHFFFAOYSA-N
    • SMILES: N1C2C=CC(C#N)=C(C#N)C=2C=N1

Computed Properties

  • Exact Mass: 168.043596g/mol
  • Monoisotopic Mass: 168.043596g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 293
  • 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
  • Molecular Weight: 168.15g/mol
  • XLogP3: 1
  • Topological Polar Surface Area: 76.3?2

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