2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine

C8H10ClN3O — CID 121201368

IUPAC2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine
SMILESCOC1CN(c2nccnc2Cl)C1
InChIInChI=1S/C8H10ClN3O/c1-13-6-4-12(5-6)8-7(9)10-2-3-11-8/h2-3,6H,4-5H2,1H3
InChIKeyHBLUKQGNPYSKJO-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.96
Rot. Bonds2

About 2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine

2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine (PubChem CID 121201368) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine
PubChem CID121201368
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine
SMILESCOC1CN(c2nccnc2Cl)C1
InChIInChI=1S/C8H10ClN3O/c1-13-6-4-12(5-6)8-7(9)10-2-3-11-8/h2-3,6H,4-5H2,1H3
InChIKeyHBLUKQGNPYSKJO-UHFFFAOYSA-N
XLogP0.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.96
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-methoxyazetidin-1-yl)pyrazine?
The IUPAC name of 2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine (CID 121201368) is 2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine?
The canonical SMILES for 2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine is COC1CN(c2nccnc2Cl)C1.
What is the InChIKey of 2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine?
The InChIKey is HBLUKQGNPYSKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-13-6-4-12(5-6)8-7(9)10-2-3-11-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine?
2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine has a molecular weight of 199.64 g/mol, XLogP of 0.96, 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-methoxyazetidin-1-yl)pyrazine is sourced from PubChem (CID 121201368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).