2-[3-(3-azanyl-1H-1,2,4-triazol-5-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(3-azanyl-1H-1,2,4-triazol-5-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]isoindoline-1,3-quinone Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC(=NN3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC(=NN3)N

InChI

InChI=1S/C13H13N5O2/c14-13-15-10(16-17-13)6-3-7-18-11(19)8-4-1-2-5-9(8)12(18)20/h1-2,4-5H,3,6-7H2,(H3,14,15,16,17)