Cas no 100224-61-1 (1-(6-chloro-3-pyridazinyl)hexahydro-1H-1,4-Diazepine)

1-(6-chloro-3-pyridazinyl)hexahydro-1H-1,4-Diazepine structure
100224-61-1 structure
Product Name:1-(6-chloro-3-pyridazinyl)hexahydro-1H-1,4-Diazepine
CAS No:100224-61-1
MF:C9H13ClN4
MW:212.67932009697
CID:1095885
PubChem ID:10104631
Update Time:2025-04-20

1-(6-chloro-3-pyridazinyl)hexahydro-1H-1,4-Diazepine Chemical and Physical Properties

Names and Identifiers

    • 1-(6-chloro-3-pyridazinyl)hexahydro-1H-1,4-Diazepine
    • 1-(3-chloro-6-pyridazinyl)-homopiperazine
    • 100224-61-1
    • SCHEMBL5238778
    • CHEMBL131049
    • AKOS000155293
    • DB-300523
    • HXMOGFDCNHKTRE-UHFFFAOYSA-N
    • Inchi: 1S/C9H13ClN4/c10-8-2-3-9(13-12-8)14-6-1-4-11-5-7-14/h2-3,11H,1,4-7H2
    • InChI Key: HXMOGFDCNHKTRE-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(N=N1)N1CCNCCC1

Computed Properties

  • Exact Mass: 212.082874g/mol
  • Monoisotopic Mass: 212.082874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 178
  • 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
  • Molecular Weight: 212.68g/mol
  • XLogP3: 1
  • Topological Polar Surface Area: 41?2
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