1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile

C11H13N3S — CID 168794848

IUPAC1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile
SMILESCCSc1nc(C2(C#N)CC2)cnc1C
InChIInChI=1S/C11H13N3S/c1-3-15-10-8(2)13-6-9(14-10)11(7-12)4-5-11/h6H,3-5H2,1-2H3
InChIKeyAAUVGYKCWPXBSN-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.45
Rot. Bonds3

About 1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile

1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile (PubChem CID 168794848) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile
PubChem CID168794848
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile
SMILESCCSc1nc(C2(C#N)CC2)cnc1C
InChIInChI=1S/C11H13N3S/c1-3-15-10-8(2)13-6-9(14-10)11(7-12)4-5-11/h6H,3-5H2,1-2H3
InChIKeyAAUVGYKCWPXBSN-UHFFFAOYSA-N
XLogP2.45
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile (CID 168794848) is 1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile is CCSc1nc(C2(C#N)CC2)cnc1C.
What is the InChIKey of 1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is AAUVGYKCWPXBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-3-15-10-8(2)13-6-9(14-10)11(7-12)4-5-11/h6H,3-5H2,1-2H3.
What are the key properties of 1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile?
1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 219.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylsulfanyl-5-methylpyrazin-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 168794848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).