3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one

C12H11ClN2O2S — CID 82446407

IUPAC3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
SMILESCOc1ccc(Cl)cc1-c1cc(CS)c(=O)[nH]n1
InChIInChI=1S/C12H11ClN2O2S/c1-17-11-3-2-8(13)5-9(11)10-4-7(6-18)12(16)15-14-10/h2-5,18H,6H2,1H3,(H,15,16)
InChIKeyRCRYONDDOWPDPS-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.53
Rot. Bonds3

About 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one

3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one (PubChem CID 82446407) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
PubChem CID82446407
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
SMILESCOc1ccc(Cl)cc1-c1cc(CS)c(=O)[nH]n1
InChIInChI=1S/C12H11ClN2O2S/c1-17-11-3-2-8(13)5-9(11)10-4-7(6-18)12(16)15-14-10/h2-5,18H,6H2,1H3,(H,15,16)
InChIKeyRCRYONDDOWPDPS-UHFFFAOYSA-N
XLogP2.53
TPSA54.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-chloro-2-methoxyphenyl)-2-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82444558
3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one
CID 82446409
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
CID 82446377
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
5-(chloromethyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 83583893
3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446366
3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82446278
5-bromo-4-(5-chloro-2-methoxyphenyl)-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one
CID 127029931
3-amino-6-(5-chloro-2-methoxyphenyl)-1H-pyridin-2-one
CID 82467202
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389
5-(5-chloro-2-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one
CID 119068739

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one (CID 82446407) is 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one is COc1ccc(Cl)cc1-c1cc(CS)c(=O)[nH]n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one?
The InChIKey is RCRYONDDOWPDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-17-11-3-2-8(13)5-9(11)10-4-7(6-18)12(16)15-14-10/h2-5,18H,6H2,1H3,(H,15,16).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one?
3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one has a molecular weight of 282.75 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82446407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).