| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 12 | Yes |
Popular Name: MFCD21606149 MFCD21606149
Find On: PubMed — Wikipedia — Google
CAS Number: 1361118-67-3
2-(4-Methyl-4H-[1,2,4]triazol-3-yl)-piperidine
2-(4-Methyl-4H-[1,2,4]triazol-3-yl)-piperidine dihydrochloride
| 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) | 0.22 | 5.03 | -40.3 | 2 | 4 | 1 | 47 | 167.236 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.22 | 3.81 | -10.08 | 1 | 4 | 0 | 43 | 166.228 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
