6-(1-azanylpropyl)-3-(4-nitrophenyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-(1-azanylpropyl)-3-(4-nitrophenyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-(1-aminopropyl)-3-(4-nitrophenyl)-2H-1,2,4-triazin-5-one CAS Name: 6-(1-aminopropyl)-3-(4-nitrophenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-(1-aminopropyl)-3-(4-nitrophenyl)-2H-1,2,4-triazin-5-one Traditional Name: 6-(1-aminopropyl)-3-(4-nitrophenyl)-2H-1,2,4-triazin-5-one Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NNC(=NC1=O)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CCC(C1=NNC(=NC1=O)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H13N5O3/c1-2-9(13)10-12(18)14-11(16-15-10)7-3-5-8(6-4-7)17(19)20/h3-6,9H,2,13H2,1H3,(H,14,16,18)