Basic information
- CAS
1043-46-5- Standard SMILES
c1ccc(-c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1- InChIKey
ZUADNMDNEIWVSE-UHFFFAOYSA-N- Molecular formula
- C20H15N3
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.12659749
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 1,3,5-triphenyl-
- IUPAC
- 1,3,5-triphenyl-1,2,4-triazole
Names & synonyms
1H-1,2,4-Triazole, 1,3,5-triphenyl-1,3,5-Triphenyl-1H-1,2,4-triazoleCHEMBL5964111,3,5-Triphenyl-1,2,4-triazole1,3,5-Triphenyl-1,2,4-triazol1043-46-5SCHEMBL2339443SCHEMBL6308441SCHEMBL23859948DTXSID90340285ZUADNMDNEIWVSE-UHFFFAOYSA-NBDBM50304441
Show more names
1,3,5-Triphenyl-1H-[1,2,4]triazole1,3,5-Triphenyl-1H-1,2,4-triazole #
Database identifiers
- CAS
1043-46-5- PubChem CID
- 563249
- DTXSID
DTXSID90340285- ChEMBL
CHEMBL596411- Nikkaji
- J957.941I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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