3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole
Chemical Structure Depiction of
3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole
3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole
Compound characteristics
Compound ID: | 8018-8591 |
Compound Name: | 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole |
Molecular Weight: | 199.6 |
Molecular Formula: | C6 H6 Cl N5 O |
Smiles: | Cc1c(c2nc(C[Cl])[nH]n2)non1 |
Stereo: | ACHIRAL |
logP: | 1.576 |
logD: | 1.46 |
logSw: | -1.584 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.979 |
InChI Key: | PNCAZMKXSJSYSF-UHFFFAOYSA-N |