N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide
Basic information
- CAS
55717-75-4- Standard SMILES
c1ccc(Nc2n[n+](-c3ccccc3)no2)cc1- InChIKey
TVNFORIXNSSXBE-UHFFFAOYSA-N- Molecular formula
- C13H11N4O+
- Average molar mass
- 239.25 g/mol
- Monoisotopic mass
- 239.09328599
Names & identifiers
- Preferred name
- N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide
- IUPAC
- N,3-diphenyloxatriazol-3-ium-5-amine
Names & synonyms
N-(3-Phenyl-5-(1,2,3,4-oxatriazolio))phenylamide55717-75-4DTXSID902042521,2,3,4-Oxatriazolium, 3-phenyl-5-(phenylamino)-, hydroxide, inner saltRefChem:161986DTXCID90126743NSC 176329N,3-diphenyloxatriazol-3-ium-5-amineNSC176329NSC-1763295-Anilino-3-phenyl-1,2,3,4-oxatriazol-3-ium1,3,4-Oxatriazolium, 3-phenyl-5-(phenylamino)-, hydroxide, inner salt
Database identifiers
- CAS
55717-75-4- PubChem CID
- 425820
- DTXSID
DTXSID90204252
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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