| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 13 | No |
Popular Name: 4-Amino-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol 4-Amino-5-pyridin-4-yl-4H-1,2,4-…
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CAS Numbers: 36209-51-5 , [36209-51-5]
4-amino-5-(4-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-amino-5-(4-pyridinyl)-4H-1,2,4-triazol-3-ylhydrosulfide
4-amino-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-Amino-5-pyridin-4-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) | 0.39 | 3.39 | -43.89 | 2 | 5 | -1 | 70 | 192.227 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 249 - 253 | KeyOrganics |
| MP | 250 - 254 | Enamine Building Blocks |
| MP | 250...254 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO-8-F | Tyrosinase (cluster #8 Of 8), Fungal | Fungi | 1010 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO_AGABI | O42713 | Tyrosinase, Agabi | 1010 | 0.65 | Binding ≤ 10μM |
