In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2004 | 13 | No |
Popular Name: 4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol 4-Methyl-5-pyridin-4-yl-4H-[1,2,…
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CAS Numbers: , 3652-32-2 , [3652-32-2]
4-methyl-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol
4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-methyl-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) | 1.00 | 4.95 | -43.98 | 0 | 4 | -1 | 44 | 191.239 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 121 - 123 | Enamine Building Blocks |
MP | 121...123 | Enamine Building Blocks |
MP | 287° | Matrix Scientific |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.