N3-[(4-tert-butylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-[(4-tert-butylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine Openeye Name: N3-[(4-tert-butylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine CAS Name: N3-[(4-tert-butylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[(4-tert-butylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1H-1,2,4-triazol-3-yl)-(4-tert-butylbenzyl)amine Formula: C13H19N5 MolecularWeight: 245.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC2=NNC(=N2)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC2=NNC(=N2)N

InChI

InChI=1S/C13H19N5/c1-13(2,3)10-6-4-9(5-7-10)8-15-12-16-11(14)17-18-12/h4-7H,8H2,1-3H3,(H4,14,15,16,17,18)