Basic information
- CAS
4057-66-3- Standard SMILES
O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1- InChIKey
CWVXCNAGIMKZGF-UHFFFAOYSA-N- Molecular formula
- C14H10N4O2
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.08037557
Names & identifiers
- Preferred name
- 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole
- IUPAC
- 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole
Names & synonyms
5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole4057-66-3DTXSID403503745-{4-nitrophenyl}-3-phenyl-1H-1,2,4-triazoleRefChem:300100DTXCID003014433-(4-NITROPHENYL)-5-PHENYL-1H-1,2,4-TRIAZOLE1H-1,2,4-Triazole, 3-(4-nitrophenyl)-5-phenyl-MLS-0146215.0001CBDivE_008698cid_677490CHEMBL1377001
Show more names
BDBM45979AKOS002676284AKOS002735649AG-690/33050055
Database identifiers
- CAS
4057-66-3- PubChem CID
- 677490
- DTXSID
DTXSID40350374- ChEMBL
CHEMBL1377001- Nikkaji
- J1.880.612F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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