5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-amine CAS Name: 5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]amine Formula: C13H18N4O MolecularWeight: 246.30822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC2=NC(=NN2)N

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC2=NC(=NN2)N

InChI

InChI=1S/C13H18N4O/c1-13(2,3)9-6-4-5-7-10(9)18-8-11-15-12(14)17-16-11/h4-7H,8H2,1-3H3,(H3,14,15,16,17)