2-(oxiran-2-yl)pyrazine

C6H6N2O — CID 22906673

IUPAC2-(oxiran-2-yl)pyrazine
SMILESc1cnc(C2CO2)cn1
InChIInChI=1S/C6H6N2O/c1-2-8-5(3-7-1)6-4-9-6/h1-3,6H,4H2
InChIKeyIJYPQHDSMAMCRG-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.55
Rot. Bonds1

About 2-(oxiran-2-yl)pyrazine

2-(oxiran-2-yl)pyrazine (PubChem CID 22906673) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 2-(oxiran-2-yl)pyrazine.

Molecular Properties

Compound Name2-(oxiran-2-yl)pyrazine
PubChem CID22906673
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name2-(oxiran-2-yl)pyrazine
SMILESc1cnc(C2CO2)cn1
InChIInChI=1S/C6H6N2O/c1-2-8-5(3-7-1)6-4-9-6/h1-3,6H,4H2
InChIKeyIJYPQHDSMAMCRG-UHFFFAOYSA-N
XLogP0.55
TPSA38.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)pyrazine?
The IUPAC name of 2-(oxiran-2-yl)pyrazine (CID 22906673) is 2-(oxiran-2-yl)pyrazine.
What is the SMILES notation for 2-(oxiran-2-yl)pyrazine?
The canonical SMILES for 2-(oxiran-2-yl)pyrazine is c1cnc(C2CO2)cn1.
What is the InChIKey of 2-(oxiran-2-yl)pyrazine?
The InChIKey is IJYPQHDSMAMCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-2-8-5(3-7-1)6-4-9-6/h1-3,6H,4H2.
What are the key properties of 2-(oxiran-2-yl)pyrazine?
2-(oxiran-2-yl)pyrazine has a molecular weight of 122.13 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)pyrazine is sourced from PubChem (CID 22906673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).