Basic information
- Standard SMILES
Nc1scc(Br)c1-c1ncn[nH]1- InChIKey
HATBHTGICQZBOC-UHFFFAOYSA-N- Molecular formula
- C6H5BrN4S
- Average molar mass
- 245.1 g/mol
Names & identifiers
- Preferred name
- 4-bromo-3-(4H-1,2,4-triazol-3-yl)thiophen-2-amine
- IUPAC
- 4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-amine
Names & synonyms
4-bromo-3-(4H-1,2,4-triazol-3-yl)thiophen-2-amine1239460-81-14-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-amineSCHEMBL3712308SCHEMBL3776254SCHEMBL3778285HATBHTGICQZBOC-UHFFFAOYSA-NDB-218778F306944-bromo-3-(1H-1,2,4-triazol-3-yl)thiophen-2-amine4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl-amine
Database identifiers
- PubChem CID
- 59636686
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Related reactions
65 records
Compound notes
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