2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one

C13H21N3O2 — CID 114397074

IUPAC2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(O)C2CCCC2)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-15(2)11-7-13(18)16(14-8-11)9-12(17)10-5-3-4-6-10/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyNKMZNRLRWUIUET-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.86
Rot. Bonds4

About 2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one

2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one (PubChem CID 114397074) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
PubChem CID114397074
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(O)C2CCCC2)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-15(2)11-7-13(18)16(14-8-11)9-12(17)10-5-3-4-6-10/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyNKMZNRLRWUIUET-UHFFFAOYSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
CID 102735282
5-[ethyl(methyl)amino]-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
CID 102735287
5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
CID 102735288
2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 102735289
2-[(1S,2S)-2-hydroxycyclopentyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 102735290
2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 102735293
2-(2-Cyclopentyl-2-hydroxyethyl)pyridazin-3-one
CID 104753219
2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 104920975
2-[2-(2-Hydroxycyclopentyl)ethyl]-5-methylpyridazin-3-one
CID 106548982
2-(2-Cyclopentyl-2-hydroxyethyl)-5-methylpyridazin-3-one
CID 106548985
2-(4-Hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 106802616
2-(4-Hydroxyhexyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 106802618

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one (CID 114397074) is 2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CC(O)C2CCCC2)c(=O)c1.
What is the InChIKey of 2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one?
The InChIKey is NKMZNRLRWUIUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15(2)11-7-13(18)16(14-8-11)9-12(17)10-5-3-4-6-10/h7-8,10,12,17H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one?
2-(2-cyclopentyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 0.86, 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)-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114397074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).