3-(azetidin-1-yl)-6-bromopyridazine

C7H8BrN3 — CID 123426042

IUPAC3-(azetidin-1-yl)-6-bromopyridazine
SMILESBrc1ccc(N2CCC2)nn1
InChIInChI=1S/C7H8BrN3/c8-6-2-3-7(10-9-6)11-4-1-5-11/h2-3H,1,4-5H2
InChIKeyGXIIFMJIXJVYKU-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.45
Rot. Bonds1

About 3-(azetidin-1-yl)-6-bromopyridazine

3-(azetidin-1-yl)-6-bromopyridazine (PubChem CID 123426042) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-6-bromopyridazine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-6-bromopyridazine
PubChem CID123426042
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Name3-(azetidin-1-yl)-6-bromopyridazine
SMILESBrc1ccc(N2CCC2)nn1
InChIInChI=1S/C7H8BrN3/c8-6-2-3-7(10-9-6)11-4-1-5-11/h2-3H,1,4-5H2
InChIKeyGXIIFMJIXJVYKU-UHFFFAOYSA-N
XLogP1.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
CID 130548160
3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 165432773
3-ethynyl-6-pyrrolidin-1-ylpyridazine
CID 89272201
3-pyrrolidin-1-yl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazine
CID 122334543
3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
CID 53033983
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
CID 171700804
3-piperidin-1-yl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 166601439
1-[6-(chloromethyl)pyridazin-3-yl]-4-methyl-1,4-diazepane
CID 61255108
(5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292373
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
4-(6-piperidin-1-ylpyridazin-3-yl)aniline
CID 51711955

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-6-bromopyridazine?
The IUPAC name of 3-(azetidin-1-yl)-6-bromopyridazine (CID 123426042) is 3-(azetidin-1-yl)-6-bromopyridazine.
What is the SMILES notation for 3-(azetidin-1-yl)-6-bromopyridazine?
The canonical SMILES for 3-(azetidin-1-yl)-6-bromopyridazine is Brc1ccc(N2CCC2)nn1.
What is the InChIKey of 3-(azetidin-1-yl)-6-bromopyridazine?
The InChIKey is GXIIFMJIXJVYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3/c8-6-2-3-7(10-9-6)11-4-1-5-11/h2-3H,1,4-5H2.
What are the key properties of 3-(azetidin-1-yl)-6-bromopyridazine?
3-(azetidin-1-yl)-6-bromopyridazine has a molecular weight of 214.07 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-6-bromopyridazine is sourced from PubChem (CID 123426042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).