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

C11H16N2O2 — CID 104753219

IUPAC2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one
SMILESO=c1cccnn1CC(O)C1CCCC1
InChIInChI=1S/C11H16N2O2/c14-10(9-4-1-2-5-9)8-13-11(15)6-3-7-12-13/h3,6-7,9-10,14H,1-2,4-5,8H2
InChIKeyLERWTYJZFQWUEQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds3

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

2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one (PubChem CID 104753219) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one
PubChem CID104753219
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one
SMILESO=c1cccnn1CC(O)C1CCCC1
InChIInChI=1S/C11H16N2O2/c14-10(9-4-1-2-5-9)8-13-11(15)6-3-7-12-13/h3,6-7,9-10,14H,1-2,4-5,8H2
InChIKeyLERWTYJZFQWUEQ-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-Hydroxycyclohexyl)methyl]pyridazin-3-one
CID 154458113
2-(2-Cyclopropyl-2-hydroxyethyl)pyridazin-3-one
CID 63905587
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-Cyclohexyl-2-hydroxyethyl)pyridazin-3-one
CID 104753220
2-(2-Cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one
CID 104753229
2-(2-Cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
CID 105062066
2-[2-(2-Hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one
CID 106548982
2-(2-Cyclopentyl-2-hydroxyethyl)-5-methylpyridazin-3-one
CID 106548985
2-(2-Cyclohexyl-2-hydroxyethyl)-5-methylpyridazin-3-one
CID 113848188
2-(2-Cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397054

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one (CID 104753219) is 2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one is O=c1cccnn1CC(O)C1CCCC1.
What is the InChIKey of 2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one?
The InChIKey is LERWTYJZFQWUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10(9-4-1-2-5-9)8-13-11(15)6-3-7-12-13/h3,6-7,9-10,14H,1-2,4-5,8H2.
What are the key properties of 2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one?
2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 104753219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).