5-methyl-6-nitro-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-methyl-6-nitro-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-isopropyl-5-methyl-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-methyl-6-nitro-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-methyl-6-nitro-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-isopropyl-5-methyl-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C9H11N5O3 MolecularWeight: 237.21534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=C(N2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=C(N2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C9H11N5O3/c1-4(2)7-11-9-10-5(3)6(14(16)17)8(15)13(9)12-7/h4H,1-3H3,(H,10,11,12)