4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one

C13H15ClN4O2 — CID 114433930

IUPAC4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2cccnc2)cnn1CCO
InChIInChI=1S/C13H15ClN4O2/c14-12-11(9-17-18(6-7-19)13(12)20)16-5-3-10-2-1-4-15-8-10/h1-2,4,8-9,16,19H,3,5-7H2
InChIKeyAKGOUDRMZLEBNA-UHFFFAOYSA-N
MW294.74 g/mol
LogP0.94
Rot. Bonds6

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

4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one (PubChem CID 114433930) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one
PubChem CID114433930
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2cccnc2)cnn1CCO
InChIInChI=1S/C13H15ClN4O2/c14-12-11(9-17-18(6-7-19)13(12)20)16-5-3-10-2-1-4-15-8-10/h1-2,4,8-9,16,19H,3,5-7H2
InChIKeyAKGOUDRMZLEBNA-UHFFFAOYSA-N
XLogP0.94
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435208
4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
CID 114437671
4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 106105450
4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 114438849
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]acetamide
CID 114431801
1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one
CID 23072658
5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114444841
4-chloro-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 106311130
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441285
N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 60505824
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one (CID 114433930) is 4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one is O=c1c(Cl)c(NCCc2cccnc2)cnn1CCO.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one?
The InChIKey is AKGOUDRMZLEBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c14-12-11(9-17-18(6-7-19)13(12)20)16-5-3-10-2-1-4-15-8-10/h1-2,4,8-9,16,19H,3,5-7H2.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one has a molecular weight of 294.74 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 114433930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).