3,10-bis(1H-1,2,4-triazol-5-yl)-1,3,5,8,10,12-hexazacyclotetradecane; copper

Systemtic Name: 3,10-bis(1H-1,2,4-triazol-5-yl)-1,3,5,8,10,12-hexazacyclotetradecane; copper Openeye Name: 3,10-bis(1H-1,2,4-triazol-5-yl)-1,3,5,8,10,12-hexazacyclotetradecane; copper CAS Name: 3,10-bis(1H-1,2,4-triazol-5-yl)-1,3,5,8,10,12-hexazacyclotetradecane; copper IUPAC Name: 3,10-bis(1H-1,2,4-triazol-5-yl)-1,3,5,8,10,12-hexazacyclotetradecane; copper Traditional Name: 3,10-bis(1H-1,2,4-triazol-5-yl)-1,3,5,8,10,12-hexazacyclotetradecane; copper Formula: C12H24CuN12 MolecularWeight: 399.94536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCN(CNCCNCN(CN1)C2=NC=NN2)C3=NC=NN3.[Cu]

Isomeric SMILES

C1CNCN(CNCCNCN(CN1)C2=NC=NN2)C3=NC=NN3.[Cu]

InChI

InChI=1S/C12H24N12.Cu/c1-2-14-8-24(12-18-6-20-22-12)10-16-4-3-15-9-23(7-13-1)11-17-5-19-21-11;/h5-6,13-16H,1-4,7-10H2,(H,17,19,21)(H,18,20,22);