| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2010 | 15 | Yes |
Popular Name: 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)aniline 4-(3-cyclopropyl-1H-1,2,4-triazo…
Find On: PubMed — Wikipedia — Google
CAS Number: 1240528-81-7
| 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) | 1.04 | 4.59 | -8.32 | 3 | 4 | 0 | 68 | 200.245 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 5 | -27.79 | 4 | 4 | 1 | 69 | 201.253 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 5.03 | -26.12 | 4 | 4 | 1 | 69 | 201.253 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 192 - 194 | Enamine Building Blocks |
| MP | 192...194 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
