Basic information
- CAS
66597-68-0- Standard SMILES
CN(CCO)c1cnn(CCO)c(=O)c1Cl- InChIKey
LIKDAGDCHRRTLX-UHFFFAOYSA-N- Molecular formula
- C9H14ClN3O3
- Average molar mass
- 247.68 g/mol
- Monoisotopic mass
- 247.072369
Names & identifiers
- Preferred name
- 4-Chloro-2-(2-hydroxyethyl)-5-((2-hydroxyethyl)(methyl)amino)-3(2H)-pyridazinone
- IUPAC
- 4-chloro-2-(2-hydroxyethyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
Names & synonyms
66597-68-0NSC3762524-Chloro-2-(2-hydroxyethyl)-5-((2-hydroxyethyl)(methyl)amino)-3(2H)-pyridazinone4-Chloro-2-(2-hydroxyethyl)-5-((2-hydroxyethyl)(methyl)amino)pyridazin-3(2H)-one4-Chloro-2-(2-hydroxyethyl)-5-[(2-hydroxyethyl)(methyl)amino]pyridazin-3(2H)-oneNSC 3762524-chloro-2-(2-hydroxyethyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-oneDTXSID00216765NSC-376252
Database identifiers
- CAS
66597-68-0- PubChem CID
- 341884
- DTXSID
DTXSID00216765
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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