5-butyl-2-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 5-butyl-2-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-one CAS Name: 5-butyl-2-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-neopentyl-1H-1,2,4-triazol-3-one Formula: C11H21N3O MolecularWeight: 211.30394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)N(N1)CC(C)(C)C

Isomeric SMILES

CCCCC1=NC(=O)N(N1)CC(C)(C)C

InChI

InChI=1S/C11H21N3O/c1-5-6-7-9-12-10(15)14(13-9)8-11(2,3)4/h5-8H2,1-4H3,(H,12,13,15)