| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2008 | 13 | Yes |
Popular Name: [3-(5-Methyl-4H-1,2,4-triazol-3-yl)phenyl]amine [3-(5-Methyl-4H-1,2,4-triazol-3-…
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CAS Numbers: , 1609406-60-1 , 915924-22-0
3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
3-(5-methyl-4H-1,2,4-triazol-3-yl)aniline
| 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) | 0.65 | 3.06 | -7.6 | 3 | 4 | 0 | 68 | 174.207 | 1 | ↓ |
| Ref Reference (pH 7) | 0.65 | 3.09 | -9.59 | 3 | 4 | 0 | 68 | 174.207 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 56 - 58 | Enamine Building Blocks |
| MP | 56...58 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
