| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 8 | No |
Popular Name: 3-Nitro-1,2,4-triazole 3-Nitro-1,2,4-triazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24807-55-4 , 24807-86-4 , [24807-55-4]
| 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) | -0.33 | 4.62 | -30.49 | 0 | 6 | -1 | 86 | 113.056 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.33 | 4.8 | -5.21 | 1 | 6 | 0 | 87 | 114.064 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.33 | 4.8 | -12.25 | 1 | 6 | 0 | 87 | 114.064 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.33 | 4.66 | -30.37 | 0 | 6 | -1 | 86 | 113.056 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 172 - 173 | Enamine Building Blocks |
| MP | 172...173 | Enamine Building Blocks |
| MP | 210° | Matrix Scientific |
| MP | 210°(dec.) | Oakwood Chemical |
| MP | 214 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| Melting_Point | ca 215? dec. | Alfa-Aesar |
| Melting_Point | ca 215° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0294847A1; EP0294847B1; EP0763529A1; EP0884051A1; EP0956016A1; US4927941; US5541193; US5744475; US6057453; US6060604; US6159969; WO1997009979A1; WO1998014190A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.