4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one

C14H22ClN3O2 — CID 114434041

IUPAC4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCC2CCCCC2)cnn1CCO
InChIInChI=1S/C14H22ClN3O2/c15-13-12(10-17-18(8-9-19)14(13)20)16-7-6-11-4-2-1-3-5-11/h10-11,16,19H,1-9H2
InChIKeyXNUKMIBSVFANLU-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.27
Rot. Bonds6

About 4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one

4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114434041) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114434041
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCC2CCCCC2)cnn1CCO
InChIInChI=1S/C14H22ClN3O2/c15-13-12(10-17-18(8-9-19)14(13)20)16-7-6-11-4-2-1-3-5-11/h10-11,16,19H,1-9H2
InChIKeyXNUKMIBSVFANLU-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114442315
4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973221
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-(2,2-dicyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439507
4-chloro-5-(2-cyclopropylethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114439470
4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444318
4-chloro-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 106311130
4-chloro-5-[(3-hydroxycyclobutyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439761
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436233
4-bromo-2-(2-hydroxyethyl)-5-[2-(4-methylcyclohexyl)ethylamino]pyridazin-3-one
CID 114438524
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-N-cyclopropylacetamide
CID 114433701
4-chloro-2-(2-hydroxyethyl)-5-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazin-3-one
CID 106362266

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one (CID 114434041) is 4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one is O=c1c(Cl)c(NCCC2CCCCC2)cnn1CCO.
What is the InChIKey of 4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is XNUKMIBSVFANLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c15-13-12(10-17-18(8-9-19)14(13)20)16-7-6-11-4-2-1-3-5-11/h10-11,16,19H,1-9H2.
What are the key properties of 4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 299.80 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114434041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).