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

C10H13ClN2O2 — CID 54686943

IUPAC4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1C1CCCCC1
InChIInChI=1S/C10H13ClN2O2/c11-9-8(14)6-12-13(10(9)15)7-4-2-1-3-5-7/h6-7,14H,1-5H2
InChIKeyOMXVBEZHRMXROB-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.11
Rot. Bonds1

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

4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one (PubChem CID 54686943) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one
PubChem CID54686943
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1C1CCCCC1
InChIInChI=1S/C10H13ClN2O2/c11-9-8(14)6-12-13(10(9)15)7-4-2-1-3-5-7/h6-7,14H,1-5H2
InChIKeyOMXVBEZHRMXROB-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-cyclohexyl-5-hydroxypyridazin-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-hydroxypyridazin-3-one?
The IUPAC name of 4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one (CID 54686943) is 4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one.
What is the SMILES notation for 4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one?
The canonical SMILES for 4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one is O=c1c(Cl)c(O)cnn1C1CCCCC1.
What is the InChIKey of 4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one?
The InChIKey is OMXVBEZHRMXROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-9-8(14)6-12-13(10(9)15)7-4-2-1-3-5-7/h6-7,14H,1-5H2.
What are the key properties of 4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one?
4-chloro-2-cyclohexyl-5-hydroxypyridazin-3-one has a molecular weight of 228.68 g/mol, XLogP of 2.11, 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-hydroxypyridazin-3-one is sourced from PubChem (CID 54686943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).