Tools Molecules Reactions Blog

Sign in

Compound database

Compounds similar to this structure

N#CC#NEdit in Covalent

2 compounds score at least 30 % on Tanimoto similarity of circular fingerprints, most similar first.

Aryl halide10,595 Ether8,670 Carboxylic acid7,813 Primary amine6,333 Alcohol6,121 Ester5,570 Alkyl halide4,988 Alkene4,969 Phenol4,107 Ketone3,626 Tertiary amine3,199 Secondary amine2,895

Show all 52

Amide2,630 Nitro2,387 Nitrile1,808 Carbamate1,659 Acetal1,502 Aldehyde1,459 Sulfide1,238 Lactam1,123 Sulfonic acid832 Boronic acid678 Sulfonamide569 Thiol556 Lactone528 Alkyne443 Phosphate437 Acyl halide426 Quaternary ammonium365 Guanidine336 Sulfone326 Epoxide299 Boronic ester289 Silyl ether266 Oxime251 Imine237 Phosphine236 Vinyl halide231 Azo227 Hydrazone215 Isothiocyanate193 Amidine191 Acid anhydride185 Phosphonate176 Isocyanate165 Disulfide160 Sulfonate ester141 Carbonate137 Urea136 Sulfoxide64 Peroxide62 Azide55

Cyanogen460-19-5100 % similar Cyanoacetylene1070-71-942 % similar

© 2026 Chempirical · Free tools for chemists

All tools Teachers Students Gefahrstoffverzeichnis API Blog SDS library Contact