4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one

C12H11ClN2O2S — CID 142673833

IUPAC4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one
SMILESCOc1cnn(-c2ccc(SC)cc2)c(=O)c1Cl
InChIInChI=1S/C12H11ClN2O2S/c1-17-10-7-14-15(12(16)11(10)13)8-3-5-9(18-2)6-4-8/h3-7H,1-2H3
InChIKeySRXRZXWAUIEKNI-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.62
Rot. Bonds3

About 4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one

4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one (PubChem CID 142673833) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one
PubChem CID142673833
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one
SMILESCOc1cnn(-c2ccc(SC)cc2)c(=O)c1Cl
InChIInChI=1S/C12H11ClN2O2S/c1-17-10-7-14-15(12(16)11(10)13)8-3-5-9(18-2)6-4-8/h3-7H,1-2H3
InChIKeySRXRZXWAUIEKNI-UHFFFAOYSA-N
XLogP2.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
CID 1487494
4-[5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]benzoic acid
CID 45294211
2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one
CID 86105894
1-(4-bromophenyl)-5-chloro-4-methoxypyrazole
CID 117233068
1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one
CID 142673824
5-chloro-4-methoxy-1-phenylpyrazole
CID 117232898
5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
1-(4-chlorophenyl)-4-methoxypyrazole-5-carboxylic acid
CID 117233107
4-(5-chloro-4-methoxypyrazol-1-yl)pyridine
CID 117233278
4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
CID 110512658
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one (CID 142673833) is 4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one is COc1cnn(-c2ccc(SC)cc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one?
The InChIKey is SRXRZXWAUIEKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-17-10-7-14-15(12(16)11(10)13)8-3-5-9(18-2)6-4-8/h3-7H,1-2H3.
What are the key properties of 4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one?
4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one has a molecular weight of 282.75 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one is sourced from PubChem (CID 142673833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).