2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-one

Systemtic Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-one Formula: C9H15N3O MolecularWeight: 181.2349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C)(C)C)N1C=NC=N1

Isomeric SMILES

CC(C(=O)C(C)(C)C)N1C=NC=N1

InChI

InChI=1S/C9H15N3O/c1-7(8(13)9(2,3)4)12-6-10-5-11-12/h5-7H,1-4H3