| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 12 | Yes |
Popular Name: 3-methyl-5-phenyl-1H-1,2,4-triazole 3-methyl-5-phenyl-1H-1,2,4-triazole
Find On: PubMed — Wikipedia — Google
CAS Number: 3213-91-0
| 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) | 1.60 | 5.21 | -8.88 | 1 | 3 | 0 | 42 | 159.192 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US4154841; US4154843; US4332812 | IBM Patent Data |
