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

C12H18N2O2 — CID 104753229

IUPAC2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(O)C2CCCC2)n1
InChIInChI=1S/C12H18N2O2/c1-9-6-7-12(16)14(13-9)8-11(15)10-4-2-3-5-10/h6-7,10-11,15H,2-5,8H2,1H3
InChIKeySASOLENZBSFBRQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.10
Rot. Bonds3

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

2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one (PubChem CID 104753229) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one
PubChem CID104753229
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(O)C2CCCC2)n1
InChIInChI=1S/C12H18N2O2/c1-9-6-7-12(16)14(13-9)8-11(15)10-4-2-3-5-10/h6-7,10-11,15H,2-5,8H2,1H3
InChIKeySASOLENZBSFBRQ-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

N-[(1-hydroxycyclopentyl)methyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 49754476
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082531
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)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 62517184
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62517563
1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide
CID 62519118
2-(2-Hydroxypentyl)-6-methylpyridazin-3-one
CID 62924260
2-(2-Cyclopropyl-2-hydroxyethyl)-6-methylpyridazin-3-one
CID 63906392
1-butyl-N-[(1-hydroxycyclopentyl)methyl]-6-oxopyridazine-3-carboxamide
CID 64176693
N-[(1-hydroxycyclopentyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 64176702
1-butyl-N-[(2-hydroxycyclopentyl)methyl]-6-oxopyridazine-3-carboxamide
CID 65833218

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one (CID 104753229) is 2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(O)C2CCCC2)n1.
What is the InChIKey of 2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one?
The InChIKey is SASOLENZBSFBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-6-7-12(16)14(13-9)8-11(15)10-4-2-3-5-10/h6-7,10-11,15H,2-5,8H2,1H3.
What are the key properties of 2-(2-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one?
2-(2-cyclopentyl-2-hydroxyethyl)-6-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-cyclopentyl-2-hydroxyethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 104753229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).