Cas no 59105-03-2 ([1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-)

[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl- structure
59105-03-2 structure
Product Name:[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-
CAS No:59105-03-2
MF:C5H5N5O
MW:151.126099348068
CID:339827
PubChem ID:591929
Update Time:2025-04-19

[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl- Chemical and Physical Properties

Names and Identifiers

    • [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-
    • DTXSID60343743
    • GARDHEHTARWJLD-UHFFFAOYSA-N
    • InChI=1/C5H5N5O/c1-9-5-6-3-8-10(5)4(11)2-7-9/h2-3H,1H
    • 1-Methyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one
    • 4-Methyl-7-oxo-4,7-dihydro-triazolo(3,2-c)triazine
    • 1-Methyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one #
    • 59105-03-2
    • 1-Methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one
    • Inchi: 1S/C5H5N5O/c1-9-5-6-3-8-10(5)4(11)2-7-9/h2-3H,1H3
    • InChI Key: GARDHEHTARWJLD-UHFFFAOYSA-N
    • SMILES: O=C1C=NN(C)C2=NC=NN21

Computed Properties

  • Exact Mass: 151.04955
  • Monoisotopic Mass: 151.04940980g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 215
  • 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: 0.3
  • Topological Polar Surface Area: 63.4?2

Experimental Properties

  • PSA: 63.38

[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl- Related Literature

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