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

C10H12ClN3O2 — CID 138484154

IUPAC4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one
SMILESCn1ncc(N2CCC(=O)CC2)c(Cl)c1=O
InChIInChI=1S/C10H12ClN3O2/c1-13-10(16)9(11)8(6-12-13)14-4-2-7(15)3-5-14/h6H,2-5H2,1H3
InChIKeyCLLZKZPKNBKGPQ-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.60
Rot. Bonds1

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

4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one (PubChem CID 138484154) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one
PubChem CID138484154
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one
SMILESCn1ncc(N2CCC(=O)CC2)c(Cl)c1=O
InChIInChI=1S/C10H12ClN3O2/c1-13-10(16)9(11)8(6-12-13)14-4-2-7(15)3-5-14/h6H,2-5H2,1H3
InChIKeyCLLZKZPKNBKGPQ-UHFFFAOYSA-N
XLogP0.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one (CID 138484154) is 4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one is Cn1ncc(N2CCC(=O)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one?
The InChIKey is CLLZKZPKNBKGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-13-10(16)9(11)8(6-12-13)14-4-2-7(15)3-5-14/h6H,2-5H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one?
4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one has a molecular weight of 241.68 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(4-oxopiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 138484154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).