Cas no 5637-94-5 (Furo[3,4-e]-1,2,4-triazine-5,7-dione)

Furo[3,4-e]-1,2,4-triazine-5,7-dione structure
5637-94-5 structure
Product Name:Furo[3,4-e]-1,2,4-triazine-5,7-dione
CAS No:5637-94-5
MF:C5HN3O3
MW:151.079740285873
CID:385001
PubChem ID:53438580
Update Time:2025-04-19

Furo[3,4-e]-1,2,4-triazine-5,7-dione Chemical and Physical Properties

Names and Identifiers

    • Furo[3,4-e]-1,2,4-triazine-5,7-dione
    • as-Triazine-5,6-dicarboxylicanhydride(6CI,8CI)
    • furo[3,4-e][1,2,4]triazine-5,7-dione
    • Benzoic acid, 4-[(E)-[2-(4,5-dimethyl-2-thiazolyl)hydrazinylidene]methyl]-, methyl ester
    • Methyl 4-{(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazono]methyl}benzoate
    • DTXSID70701375
    • SCHEMBL4069618
    • 5637-94-5
    • Inchi: 1S/C5HN3O3/c9-4-2-3(5(10)11-4)8-7-1-6-2/h1H
    • InChI Key: CGOKRQRZKZZXFA-UHFFFAOYSA-N
    • SMILES: O1C(C2C(C1=O)=NC=NN=2)=O

Computed Properties

  • Exact Mass: 289.08865
  • Monoisotopic Mass: 151.002
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 217
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.8
  • Topological Polar Surface Area: 82A^2

Experimental Properties

  • Density: 1.25
  • Boiling Point: 447.4°Cat760mmHg
  • Flash Point: 224.4°C
  • Refractive Index: 1.615
  • PSA: 63.58
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