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

C10H13ClN2OS — CID 22358118

IUPAC4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one
SMILESO=c1c(Cl)c(S)cnn1C1CCCCC1
InChIInChI=1S/C10H13ClN2OS/c11-9-8(15)6-12-13(10(9)14)7-4-2-1-3-5-7/h6-7,15H,1-5H2
InChIKeyWKCLUKVBRUJKDH-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.69
Rot. Bonds1

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

4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one (PubChem CID 22358118) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one
PubChem CID22358118
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one
SMILESO=c1c(Cl)c(S)cnn1C1CCCCC1
InChIInChI=1S/C10H13ClN2OS/c11-9-8(15)6-12-13(10(9)14)7-4-2-1-3-5-7/h6-7,15H,1-5H2
InChIKeyWKCLUKVBRUJKDH-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-cyclohexyl-5-sulfanylpyridazin-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-sulfanylpyridazin-3-one?
The IUPAC name of 4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one (CID 22358118) is 4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one is O=c1c(Cl)c(S)cnn1C1CCCCC1.
What is the InChIKey of 4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one?
The InChIKey is WKCLUKVBRUJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-9-8(15)6-12-13(10(9)14)7-4-2-1-3-5-7/h6-7,15H,1-5H2.
What are the key properties of 4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one?
4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one has a molecular weight of 244.75 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one is sourced from PubChem (CID 22358118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).