3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine

C11H15N5OS — CID 65133735

IUPAC3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESCC(C)(C)SCc1noc(-c2nccnc2N)n1
InChIInChI=1S/C11H15N5OS/c1-11(2,3)18-6-7-15-10(17-16-7)8-9(12)14-5-4-13-8/h4-5H,6H2,1-3H3,(H2,12,14)
InChIKeyUKFJIGWXQAIIAV-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.14
Rot. Bonds3

About 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine

3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (PubChem CID 65133735) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
PubChem CID65133735
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESCC(C)(C)SCc1noc(-c2nccnc2N)n1
InChIInChI=1S/C11H15N5OS/c1-11(2,3)18-6-7-15-10(17-16-7)8-9(12)14-5-4-13-8/h4-5H,6H2,1-3H3,(H2,12,14)
InChIKeyUKFJIGWXQAIIAV-UHFFFAOYSA-N
XLogP2.14
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The IUPAC name of 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (CID 65133735) is 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The canonical SMILES for 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is CC(C)(C)SCc1noc(-c2nccnc2N)n1.
What is the InChIKey of 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The InChIKey is UKFJIGWXQAIIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-11(2,3)18-6-7-15-10(17-16-7)8-9(12)14-5-4-13-8/h4-5H,6H2,1-3H3,(H2,12,14).
What are the key properties of 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine has a molecular weight of 265.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 65133735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).