2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one

C12H18N2O3 — CID 105062066

IUPAC2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)C2CCCC2)n1
InChIInChI=1S/C12H18N2O3/c1-17-11-6-7-12(16)14(13-11)8-10(15)9-4-2-3-5-9/h6-7,9-10,15H,2-5,8H2,1H3
InChIKeyMQFVPBPGENMDBR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.80
Rot. Bonds4

About 2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one

2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one (PubChem CID 105062066) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
PubChem CID105062066
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)C2CCCC2)n1
InChIInChI=1S/C12H18N2O3/c1-17-11-6-7-12(16)14(13-11)8-10(15)9-4-2-3-5-9/h6-7,9-10,15H,2-5,8H2,1H3
InChIKeyMQFVPBPGENMDBR-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Cyclopentyl-2-hydroxyethyl)pyridazin-3-one
CID 104753219
2-(2-Cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one
CID 104753229
2-(2-Hydroxypentyl)-6-methoxypyridazin-3-one
CID 105062043
2-(2-Hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one
CID 105062045
2-(2-Hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one
CID 105062054
2-(2-Cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
CID 105062063
2-[2-Hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one
CID 105062064
2-(6-Hydroxyhexyl)-6-methoxypyridazin-3-one
CID 107705304
2-(2-Cyclohexyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
CID 113675815
2-[2-(2-Hydroxycyclopentyl)ethyl]-6-methoxypyridazin-3-one
CID 113675816
2-(2-Cyclopentyl-2-methoxyethyl)-6-(hydroxymethyl)pyridazin-3-one
CID 132318850
2-(2-Cyclopentyl-2-methoxyethyl)pyridazin-3-one
CID 167853460

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one (CID 105062066) is 2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(O)C2CCCC2)n1.
What is the InChIKey of 2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one?
The InChIKey is MQFVPBPGENMDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-11-6-7-12(16)14(13-11)8-10(15)9-4-2-3-5-9/h6-7,9-10,15H,2-5,8H2,1H3.
What are the key properties of 2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one?
2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one has a molecular weight of 238.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).