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

C11H13Cl2N3O2 — CID 115569392

IUPAC4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCCCC1
InChIInChI=1S/C11H13Cl2N3O2/c12-8-6-14-16(11(18)10(8)13)7-9(17)15-4-2-1-3-5-15/h6H,1-5,7H2
InChIKeyQQRJUPCYDIMEIF-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.56
Rot. Bonds2

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

4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one (PubChem CID 115569392) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
PubChem CID115569392
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCCCC1
InChIInChI=1S/C11H13Cl2N3O2/c12-8-6-14-16(11(18)10(8)13)7-9(17)15-4-2-1-3-5-15/h6H,1-5,7H2
InChIKeyQQRJUPCYDIMEIF-UHFFFAOYSA-N
XLogP1.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one (CID 115569392) is 4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one is O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCCCC1.
What is the InChIKey of 4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The InChIKey is QQRJUPCYDIMEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c12-8-6-14-16(11(18)10(8)13)7-9(17)15-4-2-1-3-5-15/h6H,1-5,7H2.
What are the key properties of 4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
4,5-dichloro-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one has a molecular weight of 290.15 g/mol, XLogP of 1.56, 2 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-oxo-2-piperidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 115569392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).