2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one

C12H18N2O2 — CID 104753220

IUPAC2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one
SMILESO=c1cccnn1CC(O)C1CCCCC1
InChIInChI=1S/C12H18N2O2/c15-11(10-5-2-1-3-6-10)9-14-12(16)7-4-8-13-14/h4,7-8,10-11,15H,1-3,5-6,9H2
InChIKeyZHGDOOOUMAYPCP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.18
Rot. Bonds3

About 2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one

2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one (PubChem CID 104753220) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one
PubChem CID104753220
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one
SMILESO=c1cccnn1CC(O)C1CCCCC1
InChIInChI=1S/C12H18N2O2/c15-11(10-5-2-1-3-6-10)9-14-12(16)7-4-8-13-14/h4,7-8,10-11,15H,1-3,5-6,9H2
InChIKeyZHGDOOOUMAYPCP-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-Hydroxy-3-(1-hydroxycyclohexyl)propyl]-5-(trifluoromethyl)pyridazin-3-one
CID 167761131
2-[(1-Hydroxycycloheptyl)methyl]pyridazin-3-one
CID 90767966
2-(2-Hydroxycyclohexyl)-2,3-dihydropyridazin-3-one
CID 126857270
2-[(1-Hydroxycyclohexyl)methyl]pyridazin-3-one
CID 154458113
2-[2-(1-Adamantyl)-2-hydroxyethyl]pyridazin-3-one
CID 62850324
2-[2-(2-Hydroxycyclopentyl)ethyl]pyridazin-3-one
CID 79563658
2-(2-Hydroxy-3-methylpentyl)pyridazin-3-one
CID 80448787
2-[(1-Hydroxy-4-methylcyclohexyl)methyl]pyridazin-3-one
CID 99843558
2-(2-Cyclopentyl-2-hydroxyethyl)pyridazin-3-one
CID 104753219
2-(2-Cyclopentyl-2-hydroxyethyl)-5-methylpyridazin-3-one
CID 106548985
2-(2-Cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one
CID 113449236
2-(2-Cyclohexyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
CID 113675815

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one (CID 104753220) is 2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one is O=c1cccnn1CC(O)C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one?
The InChIKey is ZHGDOOOUMAYPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11(10-5-2-1-3-6-10)9-14-12(16)7-4-8-13-14/h4,7-8,10-11,15H,1-3,5-6,9H2.
What are the key properties of 2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one?
2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one has a molecular weight of 222.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 104753220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).