1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(dipropylazaniumyl)methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(dipropylazaniumyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylammonio)methyl]triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylammonio)methyl]-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylazaniumyl)methyl]triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(dipropylammonio)methyl]triazole-4-carboxylate Formula: C12H19N7O3 MolecularWeight: 309.32436

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)[O-]

InChI

InChI=1S/C12H19N7O3/c1-3-5-18(6-4-2)7-8-9(12(20)21)14-17-19(8)11-10(13)15-22-16-11/h3-7H2,1-2H3,(H2,13,15)(H,20,21)