3-ethoxypyrazine-2-carbonitrile

C7H7N3O — CID 12639559

IUPAC3-ethoxypyrazine-2-carbonitrile
SMILESCCOc1nccnc1C#N
InChIInChI=1S/C7H7N3O/c1-2-11-7-6(5-8)9-3-4-10-7/h3-4H,2H2,1H3
InChIKeyOEOOTRXRBJQIFV-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.75
Rot. Bonds2

About 3-ethoxypyrazine-2-carbonitrile

3-ethoxypyrazine-2-carbonitrile (PubChem CID 12639559) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-ethoxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-ethoxypyrazine-2-carbonitrile
PubChem CID12639559
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-ethoxypyrazine-2-carbonitrile
SMILESCCOc1nccnc1C#N
InChIInChI=1S/C7H7N3O/c1-2-11-7-6(5-8)9-3-4-10-7/h3-4H,2H2,1H3
InChIKeyOEOOTRXRBJQIFV-UHFFFAOYSA-N
XLogP0.75
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxypyrazine-2-carbonitrile?
The IUPAC name of 3-ethoxypyrazine-2-carbonitrile (CID 12639559) is 3-ethoxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-ethoxypyrazine-2-carbonitrile?
The canonical SMILES for 3-ethoxypyrazine-2-carbonitrile is CCOc1nccnc1C#N.
What is the InChIKey of 3-ethoxypyrazine-2-carbonitrile?
The InChIKey is OEOOTRXRBJQIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-11-7-6(5-8)9-3-4-10-7/h3-4H,2H2,1H3.
What are the key properties of 3-ethoxypyrazine-2-carbonitrile?
3-ethoxypyrazine-2-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypyrazine-2-carbonitrile is sourced from PubChem (CID 12639559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).