| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2010 | 12 | Yes |
Popular Name: 2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine 2-(5-methyl-1H-1,2,4-triazol-3-y…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1803593-85-2 , 933684-82-3
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
| 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) | 0.23 | 2.92 | -33.48 | 3 | 4 | 1 | 58 | 167.236 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.23 | 1.64 | -7.12 | 2 | 4 | 0 | 54 | 166.228 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
