Cas no 2492-97-9 (1,3,5-Triazin-2(1H)-one)

1,3,5-Triazin-2(1H)-one structure
1,3,5-Triazin-2(1H)-one structure
Product Name:1,3,5-Triazin-2(1H)-one
CAS No:2492-97-9
MF:C3H3N3O
MW:97.0754196643829
CID:238523
PubChem ID:13907883
Update Time:2025-04-19

1,3,5-Triazin-2(1H)-one Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazin-2(1H)-one
    • 1H-1,3,5-triazin-2-one
    • DTXSID70552309
    • AKOS006351732
    • hydroxy-s-triazine
    • 1,3,5-triazinone
    • 2492-97-9
    • Inchi： 1S/C3H3N3O/c7-3-5-1-4-2-6-3/h1-2H,(H,4,5,6,7)
    • InChI Key： OPOJRMTZHYUKLY-UHFFFAOYSA-N
    • SMILES： O=C1N=CN=CN1

Computed Properties

  • Exact Mass: 97.02769
  • Monoisotopic Mass: 97.027611728g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 137
  • 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: 53.8?2

Experimental Properties

  • PSA: 53.82

1,3,5-Triazin-2(1H)-one Related Literature

2492-97-9 (1,3,5-Triazin-2(1H)-one) Related Products

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