| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2008 | 13 | Yes |
Popular Name: 1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine 1-(3-pyridin-4-yl-1H-1,2,4-triaz…
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CAS Number: 131052-50-1
(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)methanamine
{[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl}amine dihydrochloride
| 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) | -0.49 | 0.55 | -40.93 | 3 | 5 | 0 | 80 | 175.195 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 0.16 | -39.53 | 2 | 5 | -1 | 79 | 174.187 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.49 | 0.66 | -47.26 | 4 | 5 | 1 | 82 | 176.203 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0373891A2; EP0373891B1; US5089499; US5252573; US5395838 | IBM Patent Data |
