Cas no 147165-12-6 (3-Pyridazinecarboxylicacid, 6-(butylamino)-)

3-Pyridazinecarboxylicacid, 6-(butylamino)- structure
147165-12-6 structure
Product Name:3-Pyridazinecarboxylicacid, 6-(butylamino)-
CAS No:147165-12-6
MF:C9H13N3O2
MW:195.218421697617
CID:101176
PubChem ID:10465250
Update Time:2025-04-18

3-Pyridazinecarboxylicacid, 6-(butylamino)- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridazinecarboxylicacid, 6-(butylamino)-
    • 6-(butylamino)pyridazine-3-carboxylic acid
    • 3-Pyridazinecarboxylicacid,6-(butylamino)-(9CI)
    • 3-pyridazinecarboxylic acid,6-(butylamino)-
    • DTXSID70440333
    • 147165-12-6
    • 6-(BUTYLAMINO)PYRIDAZINE-3-CARBOXYLICACID
    • Inchi: 1S/C9H13N3O2/c1-2-3-6-10-8-5-4-7(9(13)14)11-12-8/h4-5H,2-3,6H2,1H3,(H,10,12)(H,13,14)
    • InChI Key: GJKXKPAQOFDVSE-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=C(N=N1)NCCCC)=O

Computed Properties

  • Exact Mass: 195.10089
  • Monoisotopic Mass: 195.100776666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 187
  • 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: 1.3
  • Topological Polar Surface Area: 75.1?2

Experimental Properties

  • PSA: 75.11
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