Basic information
- CAS
64214-89-7- Standard SMILES
O=[N+]([O-])c1cccc(-n2nncc2-c2ccccc2)c1- InChIKey
XKRYXTMPCRSYJA-UHFFFAOYSA-N- Molecular formula
- C14H10N4O2
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.08037557
Names & identifiers
- Preferred name
- 1-(3-Nitrophenyl)-5-phenyltriazole
- IUPAC
- 1-(3-nitrophenyl)-5-phenyltriazole
Names & synonyms
1-(3-nitrophenyl)-5-phenyl-1H-1,2,3-triazole1-(3-nitrophenyl)-5-phenyltriazoleOprea1_300270Oprea1_734475MLS0012071881-(3-Nitro-phenyl)-5-phenyl-1H-[1,2,3]triazoleCHEMBL1579344DTXSID601320023AKOS00067796164214-89-7SMR000515774SR-01000399310
Show more names
SR-01000399310-1Z56764689
Database identifiers
- CAS
64214-89-7- PubChem CID
- 747474
- DTXSID
DTXSID601320023- ChEMBL
CHEMBL1579344
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
Solubility16.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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