3,6-Diphenyl(1,2,4)triazolo(3,4-b)(1,3,4)oxadiazole

HCID 294875

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Basic information

CAS: 32550-72-4
Standard SMILES: c1ccc(-c2nn3c(-c4ccccc4)nnc3o2)cc1
InChIKey: SHKHLSSPOZSELN-UHFFFAOYSA-N
Molecular formula: C15H10N4O
Average molar mass: 262.27 g/mol
Monoisotopic mass: 262.08546096

Names & identifiers

Preferred name: 3,6-Diphenyl(1,2,4)triazolo(3,4-b)(1,3,4)oxadiazole
IUPAC: 3,6-diphenyl-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazole

Names & synonyms

32550-72-43,6-Diphenyl(1,2,4)triazolo(3,4-b)(1,3,4)oxadiazole6055ZJ6XCDNSC 164012NSC-164012UNII-6055ZJ6XCDDTXSID801862553,6-Diphenyl[1,2,4]triazolo[3,4-b][1,3,4]oxadiazole3,6-DIPHENYL-1,2,4-TRIAZOLO(3,4-B)(1,3,4)OXADIAZOLES-TRIAZOLO(3,4-B)(1,3,4)OXADIAZOLE, 3,6-DIPHENYL-1,2,4-TRIAZOLO(3,4-B)(1,3,4)OXADIAZOLE, 3,6-DIPHENYL-RefChem:91792

Show more names

DTXCID901087463,6-diphenyl-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazoleNSC164012MLS002920782CHEMBL2359917SMR001798367

Database identifiers

CAS: 32550-72-4
PubChem CID: 294875
DTXSID: DTXSID80186255
ChEMBL: CHEMBL2359917
UNII: 6055ZJ6XCD

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 328

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