5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one

C11H16BrN3O — CID 117105642

IUPAC5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one
SMILESCCN1CCCC(c2cc(Br)c(=O)[nH]n2)C1
InChIInChI=1S/C11H16BrN3O/c1-2-15-5-3-4-8(7-15)10-6-9(12)11(16)14-13-10/h6,8H,2-5,7H2,1H3,(H,14,16)
InChIKeyLDUZNTOKFQCONJ-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.73
Rot. Bonds2

About 5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one

5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one (PubChem CID 117105642) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one
PubChem CID117105642
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one
SMILESCCN1CCCC(c2cc(Br)c(=O)[nH]n2)C1
InChIInChI=1S/C11H16BrN3O/c1-2-15-5-3-4-8(7-15)10-6-9(12)11(16)14-13-10/h6,8H,2-5,7H2,1H3,(H,14,16)
InChIKeyLDUZNTOKFQCONJ-UHFFFAOYSA-N
XLogP1.73
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine
CID 117105672
4-bromo-6-(1-ethylpyrrolidin-3-yl)pyridazin-3-amine
CID 117105094
[3-(1-ethylpyrrolidin-3-yl)-1H-pyrazol-5-yl]methanamine
CID 115092182
8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine
CID 117136361
1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 71927062
[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol
CID 95842997
5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106161
5-bromo-3-(thian-2-yl)-1H-pyridazin-6-one
CID 117105856
5-bromo-3-ethyl-1H-pyridazin-6-one
CID 117106895
8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146481
2-(1-ethylpiperidin-3-yl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117157804
5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide
CID 70558034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one (CID 117105642) is 5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one is CCN1CCCC(c2cc(Br)c(=O)[nH]n2)C1.
What is the InChIKey of 5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one?
The InChIKey is LDUZNTOKFQCONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-15-5-3-4-8(7-15)10-6-9(12)11(16)14-13-10/h6,8H,2-5,7H2,1H3,(H,14,16).
What are the key properties of 5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one?
5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one has a molecular weight of 286.17 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 117105642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).