| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2005 | 7 | Yes |
Popular Name: 1H-1,2,4-Triazole-3,5-diamine 1H-1,2,4-Triazole-3,5-diamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1455-77-2 , 1455772 , 261703-47-3 , 503-88-8 , 92278-55-2 , [1455-77-2] , [92278-55-2]
"3,5-Diamino-1,2,4-triazole, 98%"
1H-1,2,4-Triazole-3,5-diamine sulfate
1H-1,2,4-Triazole-3,5-diaminesulfate
3,5-Diamino-1,2,4-triazole, 98%
3,5-Diamino-1,2,4-triazole, 98+%
3,5-Diamino-1,2,4-triazole; 3,5-Diamino-1H-1,2,4-triazole; 3,5-Diamino-s-triazole
3-amino-1H-1,2,4-triazol-5-ylamine
4H-[1,2,4]TRIAZOLE-3,5-diamine
nitric acid compound with 4H-1,2,4-triazole-3,5-diamine (1:1)
| 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) | -1.00 | 1.57 | -12.22 | 5 | 5 | 0 | 94 | 99.097 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -1.00 | 2.03 | -35.25 | 6 | 5 | 1 | 95 | 100.105 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 204 - 208 | Acros Organics |
| MP | 206 - 208 | Enamine Building Blocks |
| MP | 206...208 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Melting_Point | ca 205? dec. | Alfa-Aesar |
| Melting_Point | ca 205° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0519996A1; WO1991013876A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0680469A1; EP0680469B1; EP0838217A3; US5616620; US5807875; US5827853; US6114336; WO1994017035A1 | IBM Patent Data |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.