2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

C13H8N8O2S — CID 121290444

IUPAC2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1cnc(-c2noc(CSc3nnc(-c4cnccn4)o3)n2)cn1
InChIInChI=1S/C13H8N8O2S/c1-3-16-8(5-14-1)11-18-10(23-21-11)7-24-13-20-19-12(22-13)9-6-15-2-4-17-9/h1-6H,7H2
InChIKeySIOSOVCRBMZLKR-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.66
Rot. Bonds5

About 2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 121290444) has the molecular formula C13H8N8O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID121290444
Molecular FormulaC13H8N8O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1cnc(-c2noc(CSc3nnc(-c4cnccn4)o3)n2)cn1
InChIInChI=1S/C13H8N8O2S/c1-3-16-8(5-14-1)11-18-10(23-21-11)7-24-13-20-19-12(22-13)9-6-15-2-4-17-9/h1-6H,7H2
InChIKeySIOSOVCRBMZLKR-UHFFFAOYSA-N
XLogP1.66
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 121290444) is 2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is c1cnc(-c2noc(CSc3nnc(-c4cnccn4)o3)n2)cn1.
What is the InChIKey of 2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is SIOSOVCRBMZLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N8O2S/c1-3-16-8(5-14-1)11-18-10(23-21-11)7-24-13-20-19-12(22-13)9-6-15-2-4-17-9/h1-6H,7H2.
What are the key properties of 2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 340.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 121290444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).