4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one

C12H17ClN4O3 — CID 114439006

IUPAC4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
SMILESCN1CC(Nc2cnn(CCO)c(=O)c2Cl)CCC1=O
InChIInChI=1S/C12H17ClN4O3/c1-16-7-8(2-3-10(16)19)15-9-6-14-17(4-5-18)12(20)11(9)13/h6,8,15,18H,2-5,7H2,1H3
InChIKeyKQYQIQOTRMLPTD-UHFFFAOYSA-N
MW300.75 g/mol
LogP-0.08
Rot. Bonds4

About 4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one

4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one (PubChem CID 114439006) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
PubChem CID114439006
Molecular FormulaC12H17ClN4O3
Molecular Weight300.75 g/mol
Exact Mass300.10
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
SMILESCN1CC(Nc2cnn(CCO)c(=O)c2Cl)CCC1=O
InChIInChI=1S/C12H17ClN4O3/c1-16-7-8(2-3-10(16)19)15-9-6-14-17(4-5-18)12(20)11(9)13/h6,8,15,18H,2-5,7H2,1H3
InChIKeyKQYQIQOTRMLPTD-UHFFFAOYSA-N
XLogP-0.08
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one with MolForge

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Related Compounds

2-butyl-4-chloro-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438991
4-bromo-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438997
4-chloro-5-[(3-hydroxycyclobutyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439735
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114440175
5-chloro-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyridazin-6-one
CID 78997179
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
CID 64829046
4-chloro-2-(2-hydroxyethyl)-5-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazin-3-one
CID 106362266
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433340
4-chloro-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436048
4-chloro-5-(2,2-dicyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439507
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
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-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one (CID 114439006) is 4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one is CN1CC(Nc2cnn(CCO)c(=O)c2Cl)CCC1=O.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is KQYQIQOTRMLPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3/c1-16-7-8(2-3-10(16)19)15-9-6-14-17(4-5-18)12(20)11(9)13/h6,8,15,18H,2-5,7H2,1H3.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 300.75 g/mol, XLogP of -0.08, 4 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-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114439006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).