Cas no 146950-64-3 (Pyrido[3,4-b]pyrazine-2,3-dione,1-ethyl-1,4-dihydro-)

Pyrido[3,4-b]pyrazine-2,3-dione,1-ethyl-1,4-dihydro- structure
146950-64-3 structure
Product Name:Pyrido[3,4-b]pyrazine-2,3-dione,1-ethyl-1,4-dihydro-
CAS No:146950-64-3
MF:C9H9N3O2
MW:191.186661481857
CID:100955
PubChem ID:19102548
Update Time:2025-04-18

Pyrido[3,4-b]pyrazine-2,3-dione,1-ethyl-1,4-dihydro- Chemical and Physical Properties

Names and Identifiers

    • Pyrido[3,4-b]pyrazine-2,3-dione,1-ethyl-1,4-dihydro-
    • 1-ETHYL-1,4-DIHYDROPYRIDO[3,4-B]PYRAZINE-2,3-DIONE
    • 1-ethyl-4H-pyrido[3,4-b]pyrazine-2,3-dione
    • Pyrido[3,4-b]pyrazine-2,3-dione, 1-ethyl-1,4-dihydro- (9CI)
    • DTXSID30598102
    • 146950-64-3
    • 1-Ethylpyrido[3,4-b]pyrazine-2,3(1H,4H)-dione
    • SCHEMBL9329970
    • Inchi: 1S/C9H9N3O2/c1-2-12-7-3-4-10-5-6(7)11-8(13)9(12)14/h3-5H,2H2,1H3,(H,11,13)
    • InChI Key: DWUTWOMMDIRZBK-UHFFFAOYSA-N
    • SMILES: O=C1C(NC2C=NC=CC=2N1CC)=O

Computed Properties

  • Exact Mass: 191.06957
  • Monoisotopic Mass: 191.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 267
  • 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: -0.1
  • Topological Polar Surface Area: 62.3?2

Experimental Properties

  • PSA: 62.3
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