3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine

C15H16BrN3O — CID 162360823

IUPAC3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
SMILESCOC1CN(Cc2ccc(-c3ccc(Br)cc3)nn2)C1
InChIInChI=1S/C15H16BrN3O/c1-20-14-9-19(10-14)8-13-6-7-15(18-17-13)11-2-4-12(16)5-3-11/h2-7,14H,8-10H2,1H3
InChIKeyLXSJGWRNCVPXJF-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.74
Rot. Bonds4

About 3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine

3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine (PubChem CID 162360823) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
PubChem CID162360823
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
SMILESCOC1CN(Cc2ccc(-c3ccc(Br)cc3)nn2)C1
InChIInChI=1S/C15H16BrN3O/c1-20-14-9-19(10-14)8-13-6-7-15(18-17-13)11-2-4-12(16)5-3-11/h2-7,14H,8-10H2,1H3
InChIKeyLXSJGWRNCVPXJF-UHFFFAOYSA-N
XLogP2.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine?
The IUPAC name of 3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine (CID 162360823) is 3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine?
The canonical SMILES for 3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine is COC1CN(Cc2ccc(-c3ccc(Br)cc3)nn2)C1.
What is the InChIKey of 3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine?
The InChIKey is LXSJGWRNCVPXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-20-14-9-19(10-14)8-13-6-7-15(18-17-13)11-2-4-12(16)5-3-11/h2-7,14H,8-10H2,1H3.
What are the key properties of 3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine?
3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine has a molecular weight of 334.22 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine is sourced from PubChem (CID 162360823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).