2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one

C13H20N2O2 — CID 113449236

IUPAC2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(O)C2CCCCC2)n1
InChIInChI=1S/C13H20N2O2/c1-10-7-8-13(17)15(14-10)9-12(16)11-5-3-2-4-6-11/h7-8,11-12,16H,2-6,9H2,1H3
InChIKeyFROHCXTWVQTOBO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one

2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one (PubChem CID 113449236) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one
PubChem CID113449236
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(O)C2CCCCC2)n1
InChIInChI=1S/C13H20N2O2/c1-10-7-8-13(17)15(14-10)9-12(16)11-5-3-2-4-6-11/h7-8,11-12,16H,2-6,9H2,1H3
InChIKeyFROHCXTWVQTOBO-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-Hydroxy-4-methylcyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 109394027
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082506
6-[3-(2-Hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 62357285
6-[3-(2-Hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 62358123
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 62525614
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 62527386
2-[2-(1-Adamantyl)-2-hydroxyethyl]-6-methylpyridazin-3-one
CID 62922141
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 64866558
N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 64911133
N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 64927691
N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 64929304

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one (CID 113449236) is 2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(O)C2CCCCC2)n1.
What is the InChIKey of 2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one?
The InChIKey is FROHCXTWVQTOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-7-8-13(17)15(14-10)9-12(16)11-5-3-2-4-6-11/h7-8,11-12,16H,2-6,9H2,1H3.
What are the key properties of 2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one?
2-(2-cyclohexyl-2-hydroxyethyl)-6-methylpyridazin-3-one has a molecular weight of 236.31 g/mol, XLogP of 1.49, 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)-6-methylpyridazin-3-one is sourced from PubChem (CID 113449236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).