4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one

C12H19ClN4O2 — CID 114444318

IUPAC4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2CCNCC2)cnn1CCO
InChIInChI=1S/C12H19ClN4O2/c13-11-10(8-16-17(5-6-18)12(11)19)15-7-9-1-3-14-4-2-9/h8-9,14-15,18H,1-7H2
InChIKeyDUUKZTHHIGKIQP-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.30
Rot. Bonds5

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

4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one (PubChem CID 114444318) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
PubChem CID114444318
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2CCNCC2)cnn1CCO
InChIInChI=1S/C12H19ClN4O2/c13-11-10(8-16-17(5-6-18)12(11)19)15-7-9-1-3-14-4-2-9/h8-9,14-15,18H,1-7H2
InChIKeyDUUKZTHHIGKIQP-UHFFFAOYSA-N
XLogP0.30
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436233
4-chloro-5-[(3-hydroxycyclobutyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439761
4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444303
4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446541
4-chloro-5-(2,2-dicyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439507
4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434041
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973221
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-N-cyclopropylacetamide
CID 114433701

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one (CID 114444318) is 4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one is O=c1c(Cl)c(NCC2CCNCC2)cnn1CCO.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one?
The InChIKey is DUUKZTHHIGKIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c13-11-10(8-16-17(5-6-18)12(11)19)15-7-9-1-3-14-4-2-9/h8-9,14-15,18H,1-7H2.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one has a molecular weight of 286.76 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114444318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).