Cas no 113139-68-7 (2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)-)

2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)- structure
113139-68-7 structure
Product Name:2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)-
CAS No:113139-68-7
MF:C9H14N2O
MW:166.220262050629
CID:2610105
Update Time:2023-08-07

2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 5,6-dimethyl-3-propan-2-yl-1H-pyrazin-2-one
    • 2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)-
    • Inchi: 1S/C9H14N2O/c1-5(2)8-9(12)11-7(4)6(3)10-8/h5H,1-4H3,(H,11,12)
    • InChI Key: VUAFUBKZULTSCO-UHFFFAOYSA-N
    • SMILES: O=C1C(C(C)C)=NC(C)=C(C)N1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 274
  • Topological Polar Surface Area: 41.5
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