4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one

C11H15Cl2N3O — CID 3063362

IUPAC4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCN1CCCCC1
InChIInChI=1S/C11H15Cl2N3O/c12-9-8-14-16(11(17)10(9)13)7-6-15-4-2-1-3-5-15/h8H,1-7H2
InChIKeyIGYZZUIZNBYTLN-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.04
Rot. Bonds3

About 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one

4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one (PubChem CID 3063362) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one
PubChem CID3063362
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCN1CCCCC1
InChIInChI=1S/C11H15Cl2N3O/c12-9-8-14-16(11(17)10(9)13)7-6-15-4-2-1-3-5-15/h8H,1-7H2
InChIKeyIGYZZUIZNBYTLN-UHFFFAOYSA-N
XLogP2.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dichloro-2-cyclohexylpyridazin-3(2H)-one
CID 12351836
3(2H)-Pyridazinone, 4,5-dichloro-2-(2-(diethylamino)ethyl)-, monohydrochloride
CID 120473
3(2H)-Pyridazinone, 4,5-dichloro-2-(2-(1-piperidinyl)ethyl)-, monohydrochloride
CID 3063361
4-Chloro-2-methyl-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 614850
2-[2-(Azepan-1-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
CID 4826952
4,5-dichloro-2-[2-(diethylamino)ethyl]-3(2H)-pyridazinone
CID 120474
2-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-N,N,N-triethylethanaminium
CID 1040543
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4,5-Dichloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 12398650
4,5-dichloro-2-(2-(dimethylamino)ethyl)pyridazin-3(2H)-one hydrochloride
CID 12398651
4,5-dichloro-2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2585147
4,5-dichloro-2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2585151

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one (CID 3063362) is 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCN1CCCCC1.
What is the InChIKey of 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The InChIKey is IGYZZUIZNBYTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c12-9-8-14-16(11(17)10(9)13)7-6-15-4-2-1-3-5-15/h8H,1-7H2.
What are the key properties of 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one has a molecular weight of 276.17 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(2-piperidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 3063362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).