| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 8 | No |
Popular Name: 3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one 3-(Chloromethyl)-1H-1,2,4-triazo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 252742-72-6 , [252742-72-6]
3-Chloromethyl-1,2,4,-triazolin-5-one
3-Chloromethyl-1,2,4-triazolin-5-one
5-(chloromethyl)-2,3-dihydro-1H-1,2,4-triazol-3-one
| 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) | -0.28 | 0.03 | -10.34 | 2 | 4 | 0 | 62 | 133.538 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | -2.07 | -39.46 | 1 | 4 | -1 | 65 | 132.53 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | -0.77 | -22.16 | 2 | 4 | 0 | 66 | 133.538 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 179 - 181 | Enamine Building Blocks |
| MP | 179...181 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.