N3-[3-(2,6-dimethylphenoxy)propyl]-1H-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-[3-(2,6-dimethylphenoxy)propyl]-1H-1,2,4-triazole-3,5-diamine Openeye Name: N3-[3-(2,6-dimethylphenoxy)propyl]-1H-1,2,4-triazole-3,5-diamine CAS Name: N3-[3-(2,6-dimethylphenoxy)propyl]-1H-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[3-(2,6-dimethylphenoxy)propyl]-1H-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1H-1,2,4-triazol-3-yl)-[3-(2,6-dimethylphenoxy)propyl]amine Formula: C13H19N5O MolecularWeight: 261.32286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCNC2=NNC(=N2)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCNC2=NNC(=N2)N

InChI

InChI=1S/C13H19N5O/c1-9-5-3-6-10(2)11(9)19-8-4-7-15-13-16-12(14)17-18-13/h3,5-6H,4,7-8H2,1-2H3,(H4,14,15,16,17,18)