6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile

C9H12N4S — CID 22939535

IUPAC6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile
SMILESCN(C)CCSc1cncc(C#N)n1
InChIInChI=1S/C9H12N4S/c1-13(2)3-4-14-9-7-11-6-8(5-10)12-9/h6-7H,3-4H2,1-2H3
InChIKeyPHDJFCXLMCIOCU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.00
Rot. Bonds4

About 6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile

6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile (PubChem CID 22939535) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile
PubChem CID22939535
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile
SMILESCN(C)CCSc1cncc(C#N)n1
InChIInChI=1S/C9H12N4S/c1-13(2)3-4-14-9-7-11-6-8(5-10)12-9/h6-7H,3-4H2,1-2H3
InChIKeyPHDJFCXLMCIOCU-UHFFFAOYSA-N
XLogP1.00
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazine, methyl(methylthio)-
CID 76152
2-Methyl-5-(methylthio)pyrazine
CID 528143
2-Methyl-6-(methylthio)pyrazine
CID 520398
2-Ethylthio-3-methylpyrazine
CID 528121
2,5-Dimethyl-3-(methylsulfanyl)pyrazine
CID 11658321
2-(Hexylthio)-3-methylpyrazine
CID 99448
3-(Methylsulfanyl)pyrazine-2-carbonitrile
CID 62684059
Methyl[(1-methylethyl)thio]pyrazine
CID 3023105
2-Methylthio-3,5-methylpyrazine
CID 55251157
3-Fluoro-5-methylsulfanylpyrazine-2-carbonitrile
CID 123944553
Ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine
CID 156817562
2-Methyl-3-prop-2-enylsulfanylpyrazine
CID 312638

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile (CID 22939535) is 6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile is CN(C)CCSc1cncc(C#N)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile?
The InChIKey is PHDJFCXLMCIOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-13(2)3-4-14-9-7-11-6-8(5-10)12-9/h6-7H,3-4H2,1-2H3.
What are the key properties of 6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile?
6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylsulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 22939535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).