N-(3,4-Dibromophenyl)-1H-1,2,4-triazole-3-carboxamide
Basic information
- CAS
5316-93-8- Standard SMILES
O=C(Nc1ccc(Br)c(Br)c1)c1ncn[nH]1- InChIKey
CXGLDFXIVZOXRJ-UHFFFAOYSA-N- Molecular formula
- C9H6Br2N4O
- Average molar mass
- 345.98 g/mol
- Monoisotopic mass
- 343.89084
Names & identifiers
- Preferred name
- N-(3,4-Dibromophenyl)-1H-1,2,4-triazole-3-carboxamide
- IUPAC
- N-(3,4-dibromophenyl)-1H-1,2,4-triazole-5-carboxamide
Names & synonyms
5316-93-8N-(3,4-Dibromophenyl)-1H-1,2,4-triazole-3-carboxamiden-(3,4-dibromophenyl)-1h-1,2,4-triazole-5-carboxamideCBMicro_016956DTXSID60967685CCG-5975BIM-0016950.P001SR-01000204308SR-01000204308-1Z2734740155
Database identifiers
- CAS
5316-93-8- PubChem CID
- 755002
- DTXSID
DTXSID60967685
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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