5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one

C11H16BrN3O — CID 117106161

IUPAC5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
SMILESCN1CCCCC1Cc1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C11H16BrN3O/c1-15-5-3-2-4-9(15)6-8-7-10(12)11(16)14-13-8/h7,9H,2-6H2,1H3,(H,14,16)
InChIKeyUJJJCWAVORXQFZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.56
Rot. Bonds2

About 5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one

5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one (PubChem CID 117106161) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
PubChem CID117106161
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
SMILESCN1CCCCC1Cc1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C11H16BrN3O/c1-15-5-3-2-4-9(15)6-8-7-10(12)11(16)14-13-8/h7,9H,2-6H2,1H3,(H,14,16)
InChIKeyUJJJCWAVORXQFZ-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106006
4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106215
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
CID 115092798
6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
CID 117106143
5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde
CID 115092706
3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106139
5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one
CID 117105642
5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913277
5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one
CID 117105458
3-[(1-methylpyrrolidin-2-yl)methyl]pyridazine
CID 117105994
3-bromo-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline
CID 107914518
2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal
CID 174524914

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one (CID 117106161) is 5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one is CN1CCCCC1Cc1cc(Br)c(=O)[nH]n1.
What is the InChIKey of 5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one?
The InChIKey is UJJJCWAVORXQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15-5-3-2-4-9(15)6-8-7-10(12)11(16)14-13-8/h7,9H,2-6H2,1H3,(H,14,16).
What are the key properties of 5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one?
5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one has a molecular weight of 286.17 g/mol, XLogP of 1.56, 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-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 117106161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).