3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile

C12H9N3OS — CID 1471715

IUPAC3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
SMILESCOc1ccc(Sc2nccnc2C#N)cc1
InChIInChI=1S/C12H9N3OS/c1-16-9-2-4-10(5-3-9)17-12-11(8-13)14-6-7-15-12/h2-7H,1H3
InChIKeyPFQDEKNPSYXBHO-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.51
Rot. Bonds3

About 3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile

3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile (PubChem CID 1471715) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
PubChem CID1471715
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
SMILESCOc1ccc(Sc2nccnc2C#N)cc1
InChIInChI=1S/C12H9N3OS/c1-16-9-2-4-10(5-3-9)17-12-11(8-13)14-6-7-15-12/h2-7H,1H3
InChIKeyPFQDEKNPSYXBHO-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile
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3-(4-methylsulfonylphenyl)sulfanylpyrazine-2-carbonitrile
CID 55139243
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
3-methylsulfanylpyrazine-2-carbonitrile
CID 62684059
2-(4-methoxyphenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
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2-(4-chlorophenyl)sulfanyl-4-methoxypyridine-3-carbonitrile
CID 1470971
1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057131
3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 62867765
2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114057606
2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
CID 10563412
3-(2-methylfuran-3-yl)sulfanylpyrazine-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile?
The IUPAC name of 3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile (CID 1471715) is 3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile is COc1ccc(Sc2nccnc2C#N)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile?
The InChIKey is PFQDEKNPSYXBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/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-methoxyphenyl)sulfanylpyrazine-2-carbonitrile?
3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile has a molecular weight of 243.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile is sourced from PubChem (CID 1471715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).