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

C9H12ClN3O — CID 130546911

IUPAC3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
SMILESCOC1CN(Cc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H12ClN3O/c1-14-8-5-13(6-8)4-7-2-3-9(10)12-11-7/h2-3,8H,4-6H2,1H3
InChIKeyYXCPNUAIKILCJT-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.96
Rot. Bonds3

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

3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine (PubChem CID 130546911) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
PubChem CID130546911
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
SMILESCOC1CN(Cc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H12ClN3O/c1-14-8-5-13(6-8)4-7-2-3-9(10)12-11-7/h2-3,8H,4-6H2,1H3
InChIKeyYXCPNUAIKILCJT-UHFFFAOYSA-N
XLogP0.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine (CID 130546911) is 3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine is COC1CN(Cc2ccc(Cl)nn2)C1.
What is the InChIKey of 3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine?
The InChIKey is YXCPNUAIKILCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-14-8-5-13(6-8)4-7-2-3-9(10)12-11-7/h2-3,8H,4-6H2,1H3.
What are the key properties of 3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine?
3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine has a molecular weight of 213.67 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine is sourced from PubChem (CID 130546911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).