3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile

C8H9N3OS — CID 62685422

IUPAC3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile
SMILESCOCCSc1nccnc1C#N
InChIInChI=1S/C8H9N3OS/c1-12-4-5-13-8-7(6-9)10-2-3-11-8/h2-3H,4-5H2,1H3
InChIKeyWLLHIVXKOCPOGV-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.09
Rot. Bonds4

About 3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile

3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile (PubChem CID 62685422) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile
PubChem CID62685422
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile
SMILESCOCCSc1nccnc1C#N
InChIInChI=1S/C8H9N3OS/c1-12-4-5-13-8-7(6-9)10-2-3-11-8/h2-3H,4-5H2,1H3
InChIKeyWLLHIVXKOCPOGV-UHFFFAOYSA-N
XLogP1.09
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile (CID 62685422) is 3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile is COCCSc1nccnc1C#N.
What is the InChIKey of 3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile?
The InChIKey is WLLHIVXKOCPOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-12-4-5-13-8-7(6-9)10-2-3-11-8/h2-3H,4-5H2,1H3.
What are the key properties of 3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile?
3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile has a molecular weight of 195.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfanyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 62685422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).