3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine

C9H12ClN3O — CID 21309650

IUPAC3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine
SMILESCN1CC[C@H]1COc1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O/c1-13-5-4-7(13)6-14-9-3-2-8(10)11-12-9/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChIKeyOGRVDTQYNJUNCB-ZETCQYMHSA-N
MW213.67 g/mol
LogP1.21
Rot. Bonds3

About 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine

3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine (PubChem CID 21309650) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine
PubChem CID21309650
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine
SMILESCN1CC[C@H]1COc1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O/c1-13-5-4-7(13)6-14-9-3-2-8(10)11-12-9/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChIKeyOGRVDTQYNJUNCB-ZETCQYMHSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine?
The IUPAC name of 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine (CID 21309650) is 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine is CN1CC[C@H]1COc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine?
The InChIKey is OGRVDTQYNJUNCB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-13-5-4-7(13)6-14-9-3-2-8(10)11-12-9/h2-3,7H,4-6H2,1H3/t7-/m0/s1.
What are the key properties of 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine?
3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine has a molecular weight of 213.67 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine is sourced from PubChem (CID 21309650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).