3-Bromo-4-ethyl-4H-1,2,4-triazole
Basic information
- CAS
64907-56-8- Standard SMILES
CCn1cnnc1Br- InChIKey
LDKUZMOKIULEHL-UHFFFAOYSA-N- Molecular formula
- C4H6BrN3
- Average molar mass
- 176.01 g/mol
- Monoisotopic mass
- 174.97451
Names & identifiers
- Preferred name
- 3-Bromo-4-ethyl-4H-1,2,4-triazole
- IUPAC
- 3-bromo-4-ethyl-1,2,4-triazole
Names & synonyms
3-Bromo-4-ethyl-4H-1,2,4-triazole64907-56-81-Ethyl-2-bromo-1,3,4-triazole3-bromo-4-ethyl-1,2,4-triazole4H-1,2,4-Triazole, 3-bromo-4-ethyl-DTXSID20344913LDKUZMOKIULEHL-UHFFFAOYSA-NMFCD29038183AKOS026745807AT52619CS-44746SY407718
Show more names
3-Bromo-4-ethyl-4H-1,2,4-triazole #EN300-21628940
Database identifiers
- CAS
64907-56-8- PubChem CID
- 600356
- DTXSID
DTXSID20344913
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.7
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Compound notes
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