2-(1-methylpiperidin-4-yl)pyridazin-3-one

C10H15N3O — CID 126857275

IUPAC2-(1-methylpiperidin-4-yl)pyridazin-3-one
SMILESCN1CCC(n2ncccc2=O)CC1
InChIInChI=1S/C10H15N3O/c1-12-7-4-9(5-8-12)13-10(14)3-2-6-11-13/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyIBPICODFHIGCKJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.51
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)pyridazin-3-one

2-(1-methylpiperidin-4-yl)pyridazin-3-one (PubChem CID 126857275) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)pyridazin-3-one
PubChem CID126857275
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(1-methylpiperidin-4-yl)pyridazin-3-one
SMILESCN1CCC(n2ncccc2=O)CC1
InChIInChI=1S/C10H15N3O/c1-12-7-4-9(5-8-12)13-10(14)3-2-6-11-13/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyIBPICODFHIGCKJ-UHFFFAOYSA-N
XLogP0.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butylpyridazin-3-one
CID 12758395
2-(2-oxo-2-(piperidin-1-yl)ethyl)pyridazin-3(2H)-one
CID 45548745
2-Butan-2-ylpyridazin-3-one
CID 66921964
tert-butyl 4-(6-oxo-1(6H)-pyridazinyl)-1-piperidinecarboxylate
CID 68874609
2-(Piperidin-4-yl)-2,3-dihydropyridazin-3-one
CID 68874673
2-Pentylpyridazin-3-one
CID 69248716
2-Cyclohexyl-2,3-dihydropyridazin-3-one
CID 70313378
2-Cyclopentylpyridazin-3-one
CID 130841480
2-[3-(4-Methylpiperazin-1-yl)propyl]pyridazin-3-one
CID 142677549
2-(1-Propan-2-ylpiperidin-4-yl)pyridazin-3-one
CID 142781731
2-Hexan-2-ylpyridazin-3-one
CID 165135892
2-Piperidin-1-ylpyridazin-3-one
CID 174808695

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)pyridazin-3-one?
The IUPAC name of 2-(1-methylpiperidin-4-yl)pyridazin-3-one (CID 126857275) is 2-(1-methylpiperidin-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)pyridazin-3-one?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)pyridazin-3-one is CN1CCC(n2ncccc2=O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)pyridazin-3-one?
The InChIKey is IBPICODFHIGCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-7-4-9(5-8-12)13-10(14)3-2-6-11-13/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)pyridazin-3-one?
2-(1-methylpiperidin-4-yl)pyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)pyridazin-3-one is sourced from PubChem (CID 126857275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).