2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine

C9H12ClN3O — CID 127006781

IUPAC2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine
SMILESCOC1(C)CN(c2nccnc2Cl)C1
InChIInChI=1S/C9H12ClN3O/c1-9(14-2)5-13(6-9)8-7(10)11-3-4-12-8/h3-4H,5-6H2,1-2H3
InChIKeyWIRIXFLVDIJEKX-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.36
Rot. Bonds2

About 2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine

2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine (PubChem CID 127006781) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine
PubChem CID127006781
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine
SMILESCOC1(C)CN(c2nccnc2Cl)C1
InChIInChI=1S/C9H12ClN3O/c1-9(14-2)5-13(6-9)8-7(10)11-3-4-12-8/h3-4H,5-6H2,1-2H3
InChIKeyWIRIXFLVDIJEKX-UHFFFAOYSA-N
XLogP1.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine?
The IUPAC name of 2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine (CID 127006781) is 2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine?
The canonical SMILES for 2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine is COC1(C)CN(c2nccnc2Cl)C1.
What is the InChIKey of 2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine?
The InChIKey is WIRIXFLVDIJEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-9(14-2)5-13(6-9)8-7(10)11-3-4-12-8/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine?
2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine has a molecular weight of 213.67 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine is sourced from PubChem (CID 127006781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).