1-(4-Nitrophenyl)-4,5-dihydrotriazole
Basic information
- CAS
92335-33-6- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN=N2)cc1- InChIKey
WQCJECYSKCWHIN-UHFFFAOYSA-N- Molecular formula
- C8H8N4O2
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.06472551
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)-4,5-dihydrotriazole
- IUPAC
- 1-(4-nitrophenyl)-4,5-dihydrotriazole
Names & synonyms
92335-33-61-(4-nitrophenyl)-4,5-dihydrotriazoledelta(sup 2)-1,2,3-Triazoline, 1-(p-nitrophenyl)-NSC-408223V474BJN3MGRefChem:10544661-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazoleNSC 408223BRN 06558911-p-Nitrophenyl-delta(sup 2)-1,2,3-triazolineNSC4082235-26-01-00034 (Beilstein Handbook Reference)
Show more names
4,5-Dihydro-1-(4-nitrophenyl)-1H-1,2,3-triazoleDTXSID30919237Delta2-1,2,3-Triazoline, 1-(p-nitrophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-[1,2,3]triazole1H-1,2,3-Triazole, 4,5-dihydro-1-(4-nitrophenyl)-
Database identifiers
- CAS
92335-33-6- PubChem CID
- 101360
- DTXSID
DTXSID30919237- UNII
- V474BJN3MG
- Nikkaji
- J154.065C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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