3-(4-methoxyphenoxy)pyrazine-2-carbonitrile

C12H9N3O2 — CID 2822050

IUPAC3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
SMILESCOc1ccc(Oc2nccnc2C#N)cc1
InChIInChI=1S/C12H9N3O2/c1-16-9-2-4-10(5-3-9)17-12-11(8-13)14-6-7-15-12/h2-7H,1H3
InChIKeyXLOKKTPCJPNDEN-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.15
Rot. Bonds3

About 3-(4-methoxyphenoxy)pyrazine-2-carbonitrile

3-(4-methoxyphenoxy)pyrazine-2-carbonitrile (PubChem CID 2822050) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
PubChem CID2822050
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
SMILESCOc1ccc(Oc2nccnc2C#N)cc1
InChIInChI=1S/C12H9N3O2/c1-16-9-2-4-10(5-3-9)17-12-11(8-13)14-6-7-15-12/h2-7H,1H3
InChIKeyXLOKKTPCJPNDEN-UHFFFAOYSA-N
XLogP2.15
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-methoxyphenoxy)pyrazine-2-carbonitrile (CID 2822050) is 3-(4-methoxyphenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-methoxyphenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-methoxyphenoxy)pyrazine-2-carbonitrile is COc1ccc(Oc2nccnc2C#N)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)pyrazine-2-carbonitrile?
The InChIKey is XLOKKTPCJPNDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-16-9-2-4-10(5-3-9)17-12-11(8-13)14-6-7-15-12/h2-7H,1H3.
What are the key properties of 3-(4-methoxyphenoxy)pyrazine-2-carbonitrile?
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile has a molecular weight of 227.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 2822050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).