1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)triazole-4-carboxylic acid CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-4-triazolecarboxylic acid IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)triazole-4-carboxylic acid Traditional Name: 1-(4-aminofurazan-3-yl)-5-(azepan-1-ylmethyl)triazole-4-carboxylic acid Formula: C12H17N7O3 MolecularWeight: 307.30848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)O

InChI

InChI=1S/C12H17N7O3/c13-10-11(16-22-15-10)19-8(9(12(20)21)14-17-19)7-18-5-3-1-2-4-6-18/h1-7H2,(H2,13,15)(H,20,21)