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

C10H6N4O — CID 588207

IUPAC5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESc1ccc(-c2cnc3nonc3n2)cc1
InChIInChI=1S/C10H6N4O/c1-2-4-7(5-3-1)8-6-11-9-10(12-8)14-15-13-9/h1-6H
InChIKeyKPFDAMGPOMPFJC-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.68
Rot. Bonds1

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

5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 588207) has the molecular formula C10H6N4O and a molecular weight of 198.19 g/mol. Its IUPAC name is 5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID588207
Molecular FormulaC10H6N4O
Molecular Weight198.19 g/mol
Exact Mass198.05
IUPAC Name5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESc1ccc(-c2cnc3nonc3n2)cc1
InChIInChI=1S/C10H6N4O/c1-2-4-7(5-3-1)8-6-11-9-10(12-8)14-15-13-9/h1-6H
InChIKeyKPFDAMGPOMPFJC-UHFFFAOYSA-N
XLogP1.68
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 588207) is 5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine is c1ccc(-c2cnc3nonc3n2)cc1.
What is the InChIKey of 5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is KPFDAMGPOMPFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c1-2-4-7(5-3-1)8-6-11-9-10(12-8)14-15-13-9/h1-6H.
What are the key properties of 5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 198.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 588207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).