| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2010 | 7 | Yes |
Popular Name: 5-Bromo-4-methyl-1H-1,2,3-triazole hydrochloride 5-Bromo-4-methyl-1H-1,2,3-triazo…
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CAS Numbers: 1429056-33-6 , 805315-83-7 , N/A
5-Bromo-4-methyl-1H-1,2,3-triazole
5-Bromo-4-methyl-1H-1,2,3-triazole hydrobromide
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.94 | 0.75 | -3.92 | 1 | 3 | 0 | 42 | 161.99 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 0.77 | -7.24 | 1 | 3 | 0 | 42 | 161.99 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 0.73 | -34.34 | 0 | 3 | -1 | 40 | 160.982 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.