4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one

C6H7ClN2OS — CID 577256

IUPAC4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one
SMILESCSc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C6H7ClN2OS/c1-9-6(10)5(7)4(11-2)3-8-9/h3H,1-2H3
InChIKeyRQJWWUQOORBANG-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.16
Rot. Bonds1

About 4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one

4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one (PubChem CID 577256) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one
PubChem CID577256
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one
SMILESCSc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C6H7ClN2OS/c1-9-6(10)5(7)4(11-2)3-8-9/h3H,1-2H3
InChIKeyRQJWWUQOORBANG-UHFFFAOYSA-N
XLogP1.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
(5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid
CID 6484103
4-Chloro-5-fluoro-2-methylpyridazin-3-one
CID 84075943
4,5-Dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one
CID 114386473
5-Chloro-2-methyl-4-methylsulfanylpyridazin-3-one
CID 12351838
2-Methyl-4,5-bis(methylsulfanyl)pyridazin-3-one
CID 21680428
4,5-Dichloro-2,2-dimethylpyridazin-2-ium-3-one
CID 19817593
4-Chloro-2-methyl-5-sulfanylpyridazin-3-one
CID 22358173
4-Chloro-2-methyl-5-(sulfanylmethyl)pyridazin-3-one
CID 89041825
4,5-Dichloro-2-methylpyridazin-3-one;hydrochloride
CID 121472658
4-Chloro-2-methyl-5-methylchloranuidylpyridazin-3-one
CID 149038947
S-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl] ethanethioate
CID 162727629

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one (CID 577256) is 4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one is CSc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one?
The InChIKey is RQJWWUQOORBANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-9-6(10)5(7)4(11-2)3-8-9/h3H,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one?
4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one has a molecular weight of 190.66 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-methylsulfanylpyridazin-3-one is sourced from PubChem (CID 577256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).