5-(4-Nitrophenyl)-1-phenyl-4,5-dihydro-1h-1,2,3-triazole
Basic information
- CAS
10445-18-8- Standard SMILES
O=[N+]([O-])c1ccc(C2CN=NN2c2ccccc2)cc1- InChIKey
GGCXLICRZZFDTF-UHFFFAOYSA-N- Molecular formula
- C14H12N4O2
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.09602564
Names & identifiers
- Preferred name
- 5-(4-Nitrophenyl)-1-phenyl-4,5-dihydro-1h-1,2,3-triazole
- IUPAC
- 5-(4-nitrophenyl)-1-phenyl-4,5-dihydrotriazole
Names & synonyms
5-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1h-1,2,3-triazole10445-18-8DTXSID60286767RefChem:300092DTXCID00237915NSC47427NSC-47427
Database identifiers
- CAS
10445-18-8- PubChem CID
- 240758
- DTXSID
DTXSID60286767
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
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Compound notes
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