2,5-dimethyl-4-prop-2-ynyl-1,2,4-triazol-3-one

Systemtic Name: 2,5-dimethyl-4-prop-2-ynyl-1,2,4-triazol-3-one Openeye Name: 2,5-dimethyl-4-prop-2-ynyl-1,2,4-triazol-3-one CAS Name: 2,5-dimethyl-4-prop-2-ynyl-1,2,4-triazol-3-one IUPAC Name: 2,5-dimethyl-4-prop-2-ynyl-1,2,4-triazol-3-one Traditional Name: 2,5-dimethyl-4-propargyl-1,2,4-triazol-3-one Formula: C7H9N3O MolecularWeight: 151.16586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1CC#C)C

Isomeric SMILES

CC1=NN(C(=O)N1CC#C)C

InChI

InChI=1S/C7H9N3O/c1-4-5-10-6(2)8-9(3)7(10)11/h1H,5H2,2-3H3