5-[(2,3,6-trimethylphenoxy)methyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[(2,3,6-trimethylphenoxy)methyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[(2,3,6-trimethylphenoxy)methyl]-1H-1,2,4-triazol-3-amine CAS Name: 5-[(2,3,6-trimethylphenoxy)methyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[(2,3,6-trimethylphenoxy)methyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-[(2,3,6-trimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]amine Formula: C12H16N4O MolecularWeight: 232.28164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC2=NC(=NN2)N)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC2=NC(=NN2)N)C

InChI

InChI=1S/C12H16N4O/c1-7-4-5-8(2)11(9(7)3)17-6-10-14-12(13)16-15-10/h4-5H,6H2,1-3H3,(H3,13,14,15,16)