4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one

C11H13ClN4O2S — CID 114437671

IUPAC4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2nccs2)cnn1CCO
InChIInChI=1S/C11H13ClN4O2S/c12-10-8(7-15-16(4-5-17)11(10)18)13-2-1-9-14-3-6-19-9/h3,6-7,13,17H,1-2,4-5H2
InChIKeyPOZLXCLBGXCIPT-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.00
Rot. Bonds6

About 4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one

4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one (PubChem CID 114437671) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
PubChem CID114437671
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2nccs2)cnn1CCO
InChIInChI=1S/C11H13ClN4O2S/c12-10-8(7-15-16(4-5-17)11(10)18)13-2-1-9-14-3-6-19-9/h3,6-7,13,17H,1-2,4-5H2
InChIKeyPOZLXCLBGXCIPT-UHFFFAOYSA-N
XLogP1.00
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-pyridin-3-ylethylamino)pyridazin-3-one
CID 114433930
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
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]acetamide
CID 114431801
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439436
4-chloro-2-prop-2-enyl-5-(1,3-thiazol-2-ylmethylamino)pyridazin-3-one
CID 114435077
4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434041
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one
CID 114441017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one (CID 114437671) is 4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one is O=c1c(Cl)c(NCCc2nccs2)cnn1CCO.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one?
The InChIKey is POZLXCLBGXCIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c12-10-8(7-15-16(4-5-17)11(10)18)13-2-1-9-14-3-6-19-9/h3,6-7,13,17H,1-2,4-5H2.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one has a molecular weight of 300.77 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114437671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).