In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 8 | Yes |
Popular Name: 2-(1H-1,2,4-triazol-1-yl)acetonitrile 2-(1H-1,2,4-triazol-1-yl)acetoni…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 81606-79-3 , [81606-79-3]
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 | 4.31 | -15.38 | 0 | 4 | 0 | 55 | 108.104 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 55 - 58 | KeyOrganics |
MP | 55-58° | Matrix Scientific |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95+% | Matrix Scientific |
Purity | 97% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.