| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 15 | No |
Popular Name: 4-propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol 4-propyl-5-pyridin-4-yl-4H-1,2,4…
Find On: PubMed — Wikipedia — Google
CAS Number: 90871-45-7
4-propyl-3-(4-pyridyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
| 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) | 1.88 | 6.52 | -44.56 | 0 | 4 | -1 | 44 | 219.293 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 6.42 | -10.53 | 1 | 4 | 0 | 47 | 220.301 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 258 - 260 | Enamine Building Blocks |
| MP | 258...260 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
