4-(methylamino)-2-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-one

Systemtic Name: 4-(methylamino)-2-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-one Openeye Name: 2-isobutyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one CAS Name: 4-(methylamino)-2-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-one IUPAC Name: 4-(methylamino)-2-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-one Traditional Name: 2-isobutyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one Formula: C13H18N4O MolecularWeight: 246.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)N(C(=N1)C2=CC=CC=C2)NC

Isomeric SMILES

CC(C)CN1C(=O)N(C(=N1)C2=CC=CC=C2)NC

InChI

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