Cas no 104732-57-2 (1,3,5-Triazine-2,4(1H,3H)-dione,dihydro-3-(2-propen-1-yl)-)

1,3,5-Triazine-2,4(1H,3H)-dione,dihydro-3-(2-propen-1-yl)- structure
104732-57-2 structure
Product Name:1,3,5-Triazine-2,4(1H,3H)-dione,dihydro-3-(2-propen-1-yl)-
CAS No:104732-57-2
MF:C6H9N3O2
MW:155.154560804367
CID:126396
PubChem ID:13753011
Update Time:2025-04-18

1,3,5-Triazine-2,4(1H,3H)-dione,dihydro-3-(2-propen-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine-2,4(1H,3H)-dione,dihydro-3-(2-propen-1-yl)-
    • 1,3,5-Triazine-2,4(1H,3H)-dione,dihydro-3-(2-propenyl)- (9CI)
    • 1,3,5-Triazine-2,4(1H,3H)-dione,dihydro-3-(2-propenyl)-(9CI)
    • 3-Allyl-1,3,5-triazinane-2,4-dione
    • 104732-57-2
    • 3-prop-2-enyl-1,3,5-triazinane-2,4-dione
    • SCHEMBL10977047
    • Inchi: 1S/C6H9N3O2/c1-2-3-9-5(10)7-4-8-6(9)11/h2H,1,3-4H2,(H,7,10)(H,8,11)
    • InChI Key: UHGWOUALOTYEOO-UHFFFAOYSA-N
    • SMILES: O=C1NCNC(N1CC=C)=O

Computed Properties

  • Exact Mass: 155.06957
  • Monoisotopic Mass: 155.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 61.4?2

Experimental Properties

  • PSA: 61.44
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