Cas no 161958-04-9 (3,6-Pyridazinedione, 4-(3,5-dimethyl-1H-pyrazol-1-yl)tetrahydro-)

3,6-Pyridazinedione, 4-(3,5-dimethyl-1H-pyrazol-1-yl)tetrahydro- structure
161958-04-9 structure
Product Name:3,6-Pyridazinedione, 4-(3,5-dimethyl-1H-pyrazol-1-yl)tetrahydro-
CAS No:161958-04-9
MF:C9H12N4O2
MW:208.21718120575
CID:1341750
Update Time:2024-08-17

3,6-Pyridazinedione, 4-(3,5-dimethyl-1H-pyrazol-1-yl)tetrahydro- Chemical and Physical Properties

Names and Identifiers

    • 3,6-Pyridazinedione, 4-(3,5-dimethyl-1H-pyrazol-1-yl)tetrahydro-
    • Inchi: 1S/C9H12N4O2/c1-5-3-6(2)13(12-5)7-4-8(14)10-11-9(7)15/h3,7H,4H2,1-2H3,(H,10,14)(H,11,15)
    • InChI Key: AJOARLOIAHNQBX-UHFFFAOYSA-N
    • SMILES: C1(=O)NNC(=O)CC1N1C(C)=CC(C)=N1

Computed Properties

  • Exact Mass: 208.09616

Experimental Properties

  • Density: 1.50±0.1 g/cm3(Predicted)
  • Boiling Point: 521.0±39.0 °C(Predicted)
  • PSA: 76.02
  • pka: 10.43±0.40(Predicted)

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