4H-1,2,4-Triazole, 3-(4-nitrophenyl)-4,5-diphenyl-
Basic information
- CAS
62507-57-7- Standard SMILES
O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1- InChIKey
XHHJDYNMDKPNKH-UHFFFAOYSA-N- Molecular formula
- C20H14N4O2
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.1116757
Names & identifiers
- Preferred name
- 4H-1,2,4-Triazole, 3-(4-nitrophenyl)-4,5-diphenyl-
- IUPAC
- 3-(4-nitrophenyl)-4,5-diphenyl-1,2,4-triazole
Names & synonyms
62507-57-74H-1,2,4-Triazole, 3-(4-nitrophenyl)-4,5-diphenyl-DTXSID00394830RefChem:296931DTXCID503456903-(4-nitrophenyl)-4,5-diphenyl-4H-1,2,4-triazole3-(4-nitrophenyl)-4,5-diphenyl-1,2,4-triazoleAKOS001594094EU-0035989SR-01000411041SR-01000411041-1
Database identifiers
- CAS
62507-57-7- PubChem CID
- 3665993
- DTXSID
DTXSID00394830
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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