4-[3-bromo-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2,1,3-benzooxadiazol

HCID 22019258
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Basic information

Standard SMILES
Brc1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12
InChIKey
QYURXTPKKLDXEJ-UHFFFAOYSA-N
Molecular formula
C19H11BrN6O
Average molar mass
419.2 g/mol

Names & identifiers

Preferred name
4-[3-bromo-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2,1,3-benzooxadiazol
IUPAC
4-[3-bromo-5-(6-phenyl-3-pyridinyl)-1,2,4-triazol-4-yl]-2,1,3-benzoxadiazole

Names & synonyms

SCHEMBL5831916QYURXTPKKLDXEJ-UHFFFAOYSA-N4-[3-bromo-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2,1,3-benzooxadiazol

Database identifiers

PubChem CID
22019258

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
82.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
27

Related reactions

3 records
New reaction record

Compound notes

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