4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one

C15H12Cl3N3O2 — CID 3714524

IUPAC4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one
SMILESO=C1CCN(c2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)CC1
InChIInChI=1S/C15H12Cl3N3O2/c16-9-1-2-12(11(17)7-9)21-15(23)14(18)13(8-19-21)20-5-3-10(22)4-6-20/h1-2,7-8H,3-6H2
InChIKeyTWQHIECFPZNULU-UHFFFAOYSA-N
MW372.64 g/mol
LogP3.36
Rot. Bonds2

About 4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one

4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one (PubChem CID 3714524) has the molecular formula C15H12Cl3N3O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one
PubChem CID3714524
Molecular FormulaC15H12Cl3N3O2
Molecular Weight372.64 g/mol
Exact Mass371.00
IUPAC Name4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one
SMILESO=C1CCN(c2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)CC1
InChIInChI=1S/C15H12Cl3N3O2/c16-9-1-2-12(11(17)7-9)21-15(23)14(18)13(8-19-21)20-5-3-10(22)4-6-20/h1-2,7-8H,3-6H2
InChIKeyTWQHIECFPZNULU-UHFFFAOYSA-N
XLogP3.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-but-3-ynylpiperazin-1-yl)-4-chloro-2-(2,4-dichlorophenyl)pyridazin-3-one
CID 133453778
4-chloro-2-(2,4-dichlorophenyl)-5-[(1-prop-2-enylpiperidin-4-yl)amino]pyridazin-3-one
CID 133320120
4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide
CID 112840789
4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 55832806
4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280949
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one
CID 60503924
4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one
CID 94174563
2-(4-chlorophenyl)-5-(4-oxopiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585409
4-chloro-5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(2,4-difluorophenyl)pyridazin-3-one
CID 133448732
4-chloro-2-(2,4-difluorophenyl)-5-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]pyridazin-3-one
CID 133383428
4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 71861488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one (CID 3714524) is 4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one is O=C1CCN(c2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one?
The InChIKey is TWQHIECFPZNULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3O2/c16-9-1-2-12(11(17)7-9)21-15(23)14(18)13(8-19-21)20-5-3-10(22)4-6-20/h1-2,7-8H,3-6H2.
What are the key properties of 4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one?
4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one has a molecular weight of 372.64 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 3714524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).