| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 7 | Yes |
Popular Name: 3-Cyano-1,2,4-Triazole 3-Cyano-1,2,4-Triazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 09/10/41 , 3641-10-9 , 3641/10/9 , 636171.0 , [3641-10-9]
1H-1,2,4-triazole-3-carbonitrile
1H-1,2,4-triazole-5-carbonitrile
2H-1,2,4-triazole-3-carbonitrile
| 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) | -0.75 | 1.72 | -29.42 | 0 | 4 | -1 | 64 | 93.069 | 0 | ↓ |
| Ref Reference (pH 7) | -0.75 | 1.74 | -29.33 | 0 | 4 | -1 | 64 | 93.069 | 0 | ↓ |
| Ref Reference (pH 7) | -0.75 | 1.83 | -29 | 0 | 4 | -1 | 64 | 93.069 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.75 | 1.88 | -12.04 | 1 | 4 | 0 | 65 | 94.077 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 187° | Matrix Scientific |
| MP | 188 - 190 | Enamine Building Blocks |
| MP | 188...190 | Enamine Building Blocks |
| MP | 190 - 192 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | >98% | APIChem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.