1-(1,3-benzodioxol-5-yl)-N,N'-bis(1H-1,2,4-triazol-5-yl)methanediamine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N,N'-bis(1H-1,2,4-triazol-5-yl)methanediamine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N,N'-bis(1H-1,2,4-triazol-5-yl)methanediamine CAS Name: 1-(1,3-benzodioxol-5-yl)-N,N'-bis(1H-1,2,4-triazol-5-yl)methanediamine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N,N'-bis(1H-1,2,4-triazol-5-yl)methanediamine Traditional Name: [1,3-benzodioxol-5-yl-(1H-1,2,4-triazol-5-ylamino)methyl]-(1H-1,2,4-triazol-5-yl)amine Formula: C12H12N8O2 MolecularWeight: 300.27608

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(NC3=NC=NN3)NC4=NC=NN4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(NC3=NC=NN3)NC4=NC=NN4

InChI

InChI=1S/C12H12N8O2/c1-2-8-9(22-6-21-8)3-7(1)10(17-11-13-4-15-19-11)18-12-14-5-16-20-12/h1-5,10H,6H2,(H2,13,15,17,19)(H2,14,16,18,20)