2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one

C12H19N3O — CID 142781731

IUPAC2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one
SMILESCC(C)N1CCC(n2ncccc2=O)CC1
InChIInChI=1S/C12H19N3O/c1-10(2)14-8-5-11(6-9-14)15-12(16)4-3-7-13-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyXRYHTYVOGCZCGY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.29
Rot. Bonds2

About 2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one

2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one (PubChem CID 142781731) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one
PubChem CID142781731
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one
SMILESCC(C)N1CCC(n2ncccc2=O)CC1
InChIInChI=1S/C12H19N3O/c1-10(2)14-8-5-11(6-9-14)15-12(16)4-3-7-13-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyXRYHTYVOGCZCGY-UHFFFAOYSA-N
XLogP1.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-2-(piperidin-1-yl)ethyl)pyridazin-3(2H)-one
CID 45548745
6-Chloro-2-(3-piperidin-1-ylpropyl)pyridazin-3-one
CID 53956492
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
Ethane;2-propan-2-ylpyridazin-3-one
CID 143160773
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-propan-2-ylpiperidin-4-yl)pyridazin-3-one?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one (CID 142781731) is 2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one is CC(C)N1CCC(n2ncccc2=O)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one?
The InChIKey is XRYHTYVOGCZCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(2)14-8-5-11(6-9-14)15-12(16)4-3-7-13-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one?
2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-one is sourced from PubChem (CID 142781731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).