5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine

C10H5BrN4O — CID 1110845

IUPAC5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESBrc1ccc(-c2cnc3nonc3n2)cc1
InChIInChI=1S/C10H5BrN4O/c11-7-3-1-6(2-4-7)8-5-12-9-10(13-8)15-16-14-9/h1-5H
InChIKeyCLBHAEZAMLVCNW-UHFFFAOYSA-N
MW277.08 g/mol
LogP2.44
Rot. Bonds1

About 5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine

5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 1110845) has the molecular formula C10H5BrN4O and a molecular weight of 277.08 g/mol. Its IUPAC name is 5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID1110845
Molecular FormulaC10H5BrN4O
Molecular Weight277.08 g/mol
Exact Mass275.96
IUPAC Name5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESBrc1ccc(-c2cnc3nonc3n2)cc1
InChIInChI=1S/C10H5BrN4O/c11-7-3-1-6(2-4-7)8-5-12-9-10(13-8)15-16-14-9/h1-5H
InChIKeyCLBHAEZAMLVCNW-UHFFFAOYSA-N
XLogP2.44
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 1110845) is 5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine is Brc1ccc(-c2cnc3nonc3n2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is CLBHAEZAMLVCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN4O/c11-7-3-1-6(2-4-7)8-5-12-9-10(13-8)15-16-14-9/h1-5H.
What are the key properties of 5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 277.08 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 1110845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).