5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine

C16H10N4O — CID 568592

IUPAC5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESc1ccc(-c2nc3nonc3nc2-c2ccccc2)cc1
InChIInChI=1S/C16H10N4O/c1-3-7-11(8-4-1)13-14(12-9-5-2-6-10-12)18-16-15(17-13)19-21-20-16/h1-10H
InChIKeyZKJWNSFFVBZYSI-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.35
Rot. Bonds2

About 5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine

5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 568592) has the molecular formula C16H10N4O and a molecular weight of 274.28 g/mol. Its IUPAC name is 5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID568592
Molecular FormulaC16H10N4O
Molecular Weight274.28 g/mol
Exact Mass274.09
IUPAC Name5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESc1ccc(-c2nc3nonc3nc2-c2ccccc2)cc1
InChIInChI=1S/C16H10N4O/c1-3-7-11(8-4-1)13-14(12-9-5-2-6-10-12)18-16-15(17-13)19-21-20-16/h1-10H
InChIKeyZKJWNSFFVBZYSI-UHFFFAOYSA-N
XLogP3.35
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 568592) is 5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine is c1ccc(-c2nc3nonc3nc2-c2ccccc2)cc1.
What is the InChIKey of 5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is ZKJWNSFFVBZYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O/c1-3-7-11(8-4-1)13-14(12-9-5-2-6-10-12)18-16-15(17-13)19-21-20-16/h1-10H.
What are the key properties of 5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 274.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 568592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).