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

C12H9N3OS — CID 62867765

IUPAC3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile
SMILESCSc1ccc(Oc2nccnc2C#N)cc1
InChIInChI=1S/C12H9N3OS/c1-17-10-4-2-9(3-5-10)16-12-11(8-13)14-6-7-15-12/h2-7H,1H3
InChIKeyRMJJPSIEBJPDHY-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.86
Rot. Bonds3

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

3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile (PubChem CID 62867765) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile
PubChem CID62867765
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile
SMILESCSc1ccc(Oc2nccnc2C#N)cc1
InChIInChI=1S/C12H9N3OS/c1-17-10-4-2-9(3-5-10)16-12-11(8-13)14-6-7-15-12/h2-7H,1H3
InChIKeyRMJJPSIEBJPDHY-UHFFFAOYSA-N
XLogP2.86
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
3-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carbonitrile
CID 82813947
3-(2-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 63649826
4-(3-cyanopyrazin-2-yl)oxybenzamide
CID 62683866
3-naphthalen-2-yloxypyrazine-2-carbonitrile
CID 60620344
3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672882
3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile
CID 55220356
3-(4-amino-3-methylphenoxy)pyrazine-2-carbonitrile
CID 62672549
6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile
CID 63648336
3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile
CID 62684225
3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile
CID 62685184
N-[4-(3-cyanopyrazin-2-yl)oxyphenyl]cyclopropanecarboxamide
CID 133283481

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile (CID 62867765) is 3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile is CSc1ccc(Oc2nccnc2C#N)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile?
The InChIKey is RMJJPSIEBJPDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-17-10-4-2-9(3-5-10)16-12-11(8-13)14-6-7-15-12/h2-7H,1H3.
What are the key properties of 3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile?
3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile has a molecular weight of 243.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 62867765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).