| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 13 | No |
Popular Name: 4-Methyl-5-pyridin-3-yl-4H-1,2,4-triazole-3-thiol 4-Methyl-5-pyridin-3-yl-4H-1,2,4…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3652-31-1 , [3652-31-1]
4-Methyl-5-(pyrid-3yl)-4H-1,2,4-triazole-3-thiol
4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
| 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) | 1.22 | 4.97 | -46.37 | 0 | 4 | -1 | 44 | 191.239 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| MP | >350° | Oakwood Chemical |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.