| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | No |
Popular Name: 5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-[1,2,4]triazole-3-thiol 5-(1,5-Dimethyl-1H-pyrazol-3-yl)…
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CAS Number: 512811-93-7
3H-1,2,4-Triazole-3-thione, 5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-2,4-dihydro- (9CI)
5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-
5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-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) | 1.21 | 6.04 | -48.98 | 0 | 5 | -1 | 49 | 222.297 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 6.2 | -12.71 | 1 | 5 | 0 | 51 | 223.305 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.