6-Chloro-2-(2-(dimethylamino)ethyl)pyridazin-3(2H)-one

HCID 69306583

Notes Reactions

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Basic information

CAS: 763053-53-8
Standard SMILES: CN(C)CCn1nc(Cl)ccc1=O
InChIKey: SUQMKCDKNPBYGO-UHFFFAOYSA-N
Molecular formula: C8H12ClN3O
Average molar mass: 201.65 g/mol
Monoisotopic mass: 201.06688968

Names & identifiers

Preferred name: 6-Chloro-2-(2-(dimethylamino)ethyl)pyridazin-3(2H)-one
IUPAC: 6-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one

Names & synonyms

763053-53-86-Chloro-2-(2-(dimethylamino)ethyl)pyridazin-3(2H)-one6-chloro-2-(2-dimethylamino-ethyl)-2H-pyridazin-3-one6-Chloro-2-[2-(dimethylamino)ethyl]pyridazin-3(2H)-oneSCHEMBL5088814DTXSID60740218SUQMKCDKNPBYGO-UHFFFAOYSA-NDB-333387

Database identifiers

CAS: 763053-53-8
PubChem CID: 69306583
DTXSID: DTXSID60740218

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 35.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 260

Related reactions

4 records

New reaction record

HRID 28396As productuspto-grants-2008_09

HRID 28398As reactantuspto-grants-2008_09

HRID 178440As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2132711As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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