In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2008 | 14 | Yes |
Popular Name: 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanamine 2-(3-pyridin-3-yl-1H-1,2,4-triaz…
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CAS Number: 933704-28-0
2-(3-(Pyridin-3-yl)-1H-1,2,4-triazol-5-yl)ethanamine
{2-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl}amine dihydrochloride hydrate
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) | -0.47 | 1.37 | -49.58 | 4 | 5 | 1 | 82 | 190.23 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.47 | 1.25 | -56.29 | 3 | 5 | 0 | 80 | 189.222 | 3 | ↓ |