4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one

C12H17ClN2OS — CID 779506

IUPAC4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one
SMILESCCSc1cnn(C2CCCCC2)c(=O)c1Cl
InChIInChI=1S/C12H17ClN2OS/c1-2-17-10-8-14-15(12(16)11(10)13)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3
InChIKeyGASSMXZAHLWWSF-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.51
Rot. Bonds3

About 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one

4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one (PubChem CID 779506) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one
PubChem CID779506
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one
SMILESCCSc1cnn(C2CCCCC2)c(=O)c1Cl
InChIInChI=1S/C12H17ClN2OS/c1-2-17-10-8-14-15(12(16)11(10)13)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3
InChIKeyGASSMXZAHLWWSF-UHFFFAOYSA-N
XLogP3.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one?
The IUPAC name of 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one (CID 779506) is 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one is CCSc1cnn(C2CCCCC2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one?
The InChIKey is GASSMXZAHLWWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-2-17-10-8-14-15(12(16)11(10)13)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one?
4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one has a molecular weight of 272.80 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclohexyl-5-ethylsulfanylpyridazin-3-one is sourced from PubChem (CID 779506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).