4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine

C12H18BrN3O — CID 117105672

IUPAC4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine
SMILESCCN1CCCC(c2cc(Br)c(OC)nn2)C1
InChIInChI=1S/C12H18BrN3O/c1-3-16-6-4-5-9(8-16)11-7-10(13)12(17-2)15-14-11/h7,9H,3-6,8H2,1-2H3
InChIKeyXAIYPSXHHLRKOQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.45
Rot. Bonds3

About 4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine

4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine (PubChem CID 117105672) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine.

Molecular Properties

Compound Name4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine
PubChem CID117105672
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine
SMILESCCN1CCCC(c2cc(Br)c(OC)nn2)C1
InChIInChI=1S/C12H18BrN3O/c1-3-16-6-4-5-9(8-16)11-7-10(13)12(17-2)15-14-11/h7,9H,3-6,8H2,1-2H3
InChIKeyXAIYPSXHHLRKOQ-UHFFFAOYSA-N
XLogP2.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-6-(1-ethylpyrrolidin-3-yl)pyridazin-3-amine
CID 117105094
5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one
CID 117105642
3-(1-ethylpyrrolidin-3-yl)-6-methoxypyridazine
CID 117105120
8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine
CID 117136361
2-(5-bromo-6-methoxypyridazin-3-yl)thiolane 1,1-dioxide
CID 117105789
(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
CID 22856997
8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146481
4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105117
6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 175963971
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61170965
3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 113413667
4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106215

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine?
The IUPAC name of 4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine (CID 117105672) is 4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine.
What is the SMILES notation for 4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine?
The canonical SMILES for 4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine is CCN1CCCC(c2cc(Br)c(OC)nn2)C1.
What is the InChIKey of 4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine?
The InChIKey is XAIYPSXHHLRKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-16-6-4-5-9(8-16)11-7-10(13)12(17-2)15-14-11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine?
4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine has a molecular weight of 300.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine is sourced from PubChem (CID 117105672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).