2,3-dimethyl-5-(oxetan-3-yl)pyrazine

C9H12N2O — CID 174159352

IUPAC2,3-dimethyl-5-(oxetan-3-yl)pyrazine
SMILESCc1ncc(C2COC2)nc1C
InChIInChI=1S/C9H12N2O/c1-6-7(2)11-9(3-10-6)8-4-12-5-8/h3,8H,4-5H2,1-2H3
InChIKeyCJBQYQXCDBFAQF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.21
Rot. Bonds1

About 2,3-dimethyl-5-(oxetan-3-yl)pyrazine

2,3-dimethyl-5-(oxetan-3-yl)pyrazine (PubChem CID 174159352) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,3-dimethyl-5-(oxetan-3-yl)pyrazine.

Molecular Properties

Compound Name2,3-dimethyl-5-(oxetan-3-yl)pyrazine
PubChem CID174159352
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,3-dimethyl-5-(oxetan-3-yl)pyrazine
SMILESCc1ncc(C2COC2)nc1C
InChIInChI=1S/C9H12N2O/c1-6-7(2)11-9(3-10-6)8-4-12-5-8/h3,8H,4-5H2,1-2H3
InChIKeyCJBQYQXCDBFAQF-UHFFFAOYSA-N
XLogP1.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(oxetan-3-yl)pyrazine?
The IUPAC name of 2,3-dimethyl-5-(oxetan-3-yl)pyrazine (CID 174159352) is 2,3-dimethyl-5-(oxetan-3-yl)pyrazine.
What is the SMILES notation for 2,3-dimethyl-5-(oxetan-3-yl)pyrazine?
The canonical SMILES for 2,3-dimethyl-5-(oxetan-3-yl)pyrazine is Cc1ncc(C2COC2)nc1C.
What is the InChIKey of 2,3-dimethyl-5-(oxetan-3-yl)pyrazine?
The InChIKey is CJBQYQXCDBFAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-7(2)11-9(3-10-6)8-4-12-5-8/h3,8H,4-5H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-(oxetan-3-yl)pyrazine?
2,3-dimethyl-5-(oxetan-3-yl)pyrazine has a molecular weight of 164.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(oxetan-3-yl)pyrazine is sourced from PubChem (CID 174159352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).