5-[(3-methyl-4-propan-2-yl-phenoxy)methyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[(3-methyl-4-propan-2-yl-phenoxy)methyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[(4-isopropyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-amine CAS Name: 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-[(4-isopropyl-3-methyl-phenoxy)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:

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

Isomeric SMILES

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

InChI

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