| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2008 | 13 | Yes |
Popular Name: 4-(3-methyl-1H-1,2,4-triazol-5-yl)aniline 4-(3-methyl-1H-1,2,4-triazol-5-y…
Find On: PubMed — Wikipedia — Google
CAS Number: 518065-43-5
None
| 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) | 0.67 | 3.09 | -9.56 | 3 | 4 | 0 | 68 | 174.207 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 3.52 | -31.21 | 4 | 4 | 1 | 69 | 175.215 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 3.49 | -27.54 | 4 | 4 | 1 | 69 | 175.215 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 179 - 181 | Enamine Building Blocks |
| MP | 179...181 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
