5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine

C13H19N7O3S — CID 46199556

IUPAC5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine
SMILESCCS(=O)(=O)N1CCN(c2cnc(N)c(-c3noc(C)n3)n2)CC1
InChIInChI=1S/C13H19N7O3S/c1-3-24(21,22)20-6-4-19(5-7-20)10-8-15-12(14)11(17-10)13-16-9(2)23-18-13/h8H,3-7H2,1-2H3,(H2,14,15)
InChIKeyJXSQYAFEDLMFTP-UHFFFAOYSA-N
MW353.41 g/mol
LogP-0.11
Rot. Bonds4

About 5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine

5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine (PubChem CID 46199556) has the molecular formula C13H19N7O3S and a molecular weight of 353.41 g/mol. Its IUPAC name is 5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine
PubChem CID46199556
Molecular FormulaC13H19N7O3S
Molecular Weight353.41 g/mol
Exact Mass353.13
IUPAC Name5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine
SMILESCCS(=O)(=O)N1CCN(c2cnc(N)c(-c3noc(C)n3)n2)CC1
InChIInChI=1S/C13H19N7O3S/c1-3-24(21,22)20-6-4-19(5-7-20)10-8-15-12(14)11(17-10)13-16-9(2)23-18-13/h8H,3-7H2,1-2H3,(H2,14,15)
InChIKeyJXSQYAFEDLMFTP-UHFFFAOYSA-N
XLogP-0.11
TPSA131.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine (CID 46199556) is 5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine is CCS(=O)(=O)N1CCN(c2cnc(N)c(-c3noc(C)n3)n2)CC1.
What is the InChIKey of 5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine?
The InChIKey is JXSQYAFEDLMFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O3S/c1-3-24(21,22)20-6-4-19(5-7-20)10-8-15-12(14)11(17-10)13-16-9(2)23-18-13/h8H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of 5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine?
5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine has a molecular weight of 353.41 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylpiperazin-1-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 46199556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).