6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile

C11H8N4S — CID 63380705

IUPAC6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Sc2cnccn2)n1
InChIInChI=1S/C11H8N4S/c1-8-2-3-9(6-12)11(15-8)16-10-7-13-4-5-14-10/h2-5,7H,1H3
InChIKeyHTUPAWICLACZAZ-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.20
Rot. Bonds2

About 6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile

6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile (PubChem CID 63380705) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile
PubChem CID63380705
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Sc2cnccn2)n1
InChIInChI=1S/C11H8N4S/c1-8-2-3-9(6-12)11(15-8)16-10-7-13-4-5-14-10/h2-5,7H,1H3
InChIKeyHTUPAWICLACZAZ-UHFFFAOYSA-N
XLogP2.20
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile (CID 63380705) is 6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile is Cc1ccc(C#N)c(Sc2cnccn2)n1.
What is the InChIKey of 6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile?
The InChIKey is HTUPAWICLACZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-8-2-3-9(6-12)11(15-8)16-10-7-13-4-5-14-10/h2-5,7H,1H3.
What are the key properties of 6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile?
6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile has a molecular weight of 228.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 63380705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).