2-(oxetan-3-yl)pyrazine

C7H8N2O — CID 175847933

IUPAC2-(oxetan-3-yl)pyrazine
SMILESc1cnc(C2COC2)cn1
InChIInChI=1S/C7H8N2O/c1-2-9-7(3-8-1)6-4-10-5-6/h1-3,6H,4-5H2
InChIKeyWPNWMBHBESTXEW-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.59
Rot. Bonds1

About 2-(oxetan-3-yl)pyrazine

2-(oxetan-3-yl)pyrazine (PubChem CID 175847933) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-(oxetan-3-yl)pyrazine.

Molecular Properties

Compound Name2-(oxetan-3-yl)pyrazine
PubChem CID175847933
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2-(oxetan-3-yl)pyrazine
SMILESc1cnc(C2COC2)cn1
InChIInChI=1S/C7H8N2O/c1-2-9-7(3-8-1)6-4-10-5-6/h1-3,6H,4-5H2
InChIKeyWPNWMBHBESTXEW-UHFFFAOYSA-N
XLogP0.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)pyrazine?
The IUPAC name of 2-(oxetan-3-yl)pyrazine (CID 175847933) is 2-(oxetan-3-yl)pyrazine.
What is the SMILES notation for 2-(oxetan-3-yl)pyrazine?
The canonical SMILES for 2-(oxetan-3-yl)pyrazine is c1cnc(C2COC2)cn1.
What is the InChIKey of 2-(oxetan-3-yl)pyrazine?
The InChIKey is WPNWMBHBESTXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-9-7(3-8-1)6-4-10-5-6/h1-3,6H,4-5H2.
What are the key properties of 2-(oxetan-3-yl)pyrazine?
2-(oxetan-3-yl)pyrazine has a molecular weight of 136.15 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)pyrazine is sourced from PubChem (CID 175847933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).