5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one

C9H12ClN3O2 — CID 138472162

IUPAC5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCN(C2C=NNC(=O)C2Cl)CC1
InChIInChI=1S/C9H12ClN3O2/c10-8-7(5-11-12-9(8)15)13-3-1-6(14)2-4-13/h5,7-8H,1-4H2,(H,12,15)
InChIKeyJZSUXVJRXFUCCA-UHFFFAOYSA-N
MW229.67 g/mol
LogP-0.26
Rot. Bonds1

About 5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one

5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 138472162) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID138472162
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCN(C2C=NNC(=O)C2Cl)CC1
InChIInChI=1S/C9H12ClN3O2/c10-8-7(5-11-12-9(8)15)13-3-1-6(14)2-4-13/h5,7-8H,1-4H2,(H,12,15)
InChIKeyJZSUXVJRXFUCCA-UHFFFAOYSA-N
XLogP-0.26
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one
CID 86594081
3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
CID 164802583
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 4992663
1-(oxan-4-yl)piperidin-4-one
CID 43610249
1-(2,6-dimethyloxan-4-yl)piperidin-4-one
CID 164664323
4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one
CID 90192644
1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one
CID 70868148
1-(5-amino-2-pyridinyl)piperidin-4-one
CID 58431724
1-cyclobutylpyrrolidin-3-one
CID 62416933
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670
1-(5-methylpyrimidin-2-yl)piperidin-4-one
CID 63208322
1-(6-chloropyrimidin-4-yl)piperidin-4-one;ethene
CID 22000286

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 138472162) is 5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCN(C2C=NNC(=O)C2Cl)CC1.
What is the InChIKey of 5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JZSUXVJRXFUCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c10-8-7(5-11-12-9(8)15)13-3-1-6(14)2-4-13/h5,7-8H,1-4H2,(H,12,15).
What are the key properties of 5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one?
5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 229.67 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 138472162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).