5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]amine Formula: C12H16N4 MolecularWeight: 216.28224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC(=NN2)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC(=NN2)N

InChI

InChI=1S/C12H16N4/c1-2-3-4-9-5-7-10(8-6-9)11-14-12(13)16-15-11/h5-8H,2-4H2,1H3,(H3,13,14,15,16)