6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile

C12H9N3OS — CID 86072604

IUPAC6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
SMILESCOc1cccc(Sc2cncc(C#N)n2)c1
InChIInChI=1S/C12H9N3OS/c1-16-10-3-2-4-11(5-10)17-12-8-14-7-9(6-13)15-12/h2-5,7-8H,1H3
InChIKeyNJUQJPPZRQJXKR-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.51
Rot. Bonds3

About 6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile

6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile (PubChem CID 86072604) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
PubChem CID86072604
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
SMILESCOc1cccc(Sc2cncc(C#N)n2)c1
InChIInChI=1S/C12H9N3OS/c1-16-10-3-2-4-11(5-10)17-12-8-14-7-9(6-13)15-12/h2-5,7-8H,1H3
InChIKeyNJUQJPPZRQJXKR-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

6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
CID 80884185
6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile
CID 133334332
4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile
CID 81052296
4-chloro-2-(3-methoxyphenyl)sulfanylbenzonitrile
CID 63092064
2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine
CID 43260496
4-(3-methoxyphenyl)sulfanyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566730
5-amino-2-(3-methoxyphenyl)sulfanylbenzonitrile
CID 61297850
6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775008
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
2-(3-methoxyphenyl)sulfanyl-7H-purine
CID 140979991
5-(3-methoxyphenyl)sulfanyl-2-nitrobenzonitrile
CID 86220177

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile?
The IUPAC name of 6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile (CID 86072604) is 6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile.
What is the SMILES notation for 6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile?
The canonical SMILES for 6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile is COc1cccc(Sc2cncc(C#N)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile?
The InChIKey is NJUQJPPZRQJXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-16-10-3-2-4-11(5-10)17-12-8-14-7-9(6-13)15-12/h2-5,7-8H,1H3.
What are the key properties of 6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile?
6-(3-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 6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile is sourced from PubChem (CID 86072604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).