2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one

C12H18N2O2 — CID 106548982

IUPAC2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CCC2CCCC2O)c(=O)c1
InChIInChI=1S/C12H18N2O2/c1-9-7-12(16)14(13-8-9)6-5-10-3-2-4-11(10)15/h7-8,10-11,15H,2-6H2,1H3
InChIKeySSQCYTNZBFYRLV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.10
Rot. Bonds3

About 2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one

2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one (PubChem CID 106548982) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one
PubChem CID106548982
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CCC2CCCC2O)c(=O)c1
InChIInChI=1S/C12H18N2O2/c1-9-7-12(16)14(13-8-9)6-5-10-3-2-4-11(10)15/h7-8,10-11,15H,2-6H2,1H3
InChIKeySSQCYTNZBFYRLV-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-Hydroxycyclopentyl)ethyl]pyridazin-3-one
CID 79563658
2-(2-Cyclopentyl-2-hydroxyethyl)pyridazin-3-one
CID 104753219
2-(2-Hydroxy-3-methylpentyl)-5-methylpyridazin-3-one
CID 106548970
2-(2-Cyclopentyl-2-hydroxyethyl)-5-methylpyridazin-3-one
CID 106548985
2-(4-Hydroxyhexyl)-5-methylpyridazin-3-one
CID 106802624
5-(Dimethylamino)-2-[2-(2-hydroxycyclopentyl)ethyl]pyridazin-3-one
CID 113579664
2-[2-(2-Hydroxycyclopentyl)ethyl]-6-methoxypyridazin-3-one
CID 113675816
2-(2-Cyclohexyl-2-hydroxyethyl)-5-methylpyridazin-3-one
CID 113848188
2-[2-(2-Hydroxycyclopentyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397045
2-(2-Cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397074
2-[2-(2-Hydroxycyclopentyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397087
2-[2-(2-Hydroxycyclopentyl)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397105

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one (CID 106548982) is 2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one is Cc1cnn(CCC2CCCC2O)c(=O)c1.
What is the InChIKey of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one?
The InChIKey is SSQCYTNZBFYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-7-12(16)14(13-8-9)6-5-10-3-2-4-11(10)15/h7-8,10-11,15H,2-6H2,1H3.
What are the key properties of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one?
2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one has a molecular weight of 222.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).