| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 11 | Yes |
Popular Name: 3-(4H-1,2,4-triazol-3-yl)piperidine 3-(4H-1,2,4-triazol-3-yl)piperidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1609409-13-3 , 933750-46-0
3-(4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
3-(4H-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) | -0.70 | 2.89 | -40.97 | 3 | 4 | 1 | 58 | 153.209 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.70 | 2.74 | -50.15 | 2 | 4 | 0 | 56 | 152.201 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 149 - 151 | Enamine Building Blocks |
| MP | 149...151 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US5342846 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
