3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole

C9H10N4OS — CID 71866534

IUPAC3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCCc1noc(CSc2cnccn2)n1
InChIInChI=1S/C9H10N4OS/c1-2-7-12-8(14-13-7)6-15-9-5-10-3-4-11-9/h3-5H,2,6H2,1H3
InChIKeyXATHLRLMNWCCMW-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.71
Rot. Bonds4

About 3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole

3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 71866534) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID71866534
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCCc1noc(CSc2cnccn2)n1
InChIInChI=1S/C9H10N4OS/c1-2-7-12-8(14-13-7)6-15-9-5-10-3-4-11-9/h3-5H,2,6H2,1H3
InChIKeyXATHLRLMNWCCMW-UHFFFAOYSA-N
XLogP1.71
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 71866534) is 3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole is CCc1noc(CSc2cnccn2)n1.
What is the InChIKey of 3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is XATHLRLMNWCCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-2-7-12-8(14-13-7)6-15-9-5-10-3-4-11-9/h3-5H,2,6H2,1H3.
What are the key properties of 3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 222.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71866534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).