5-(3-imidazol-1-ylpropylamino)-2H-1,2,4-triazin-3-one

Systemtic Name: 5-(3-imidazol-1-ylpropylamino)-2H-1,2,4-triazin-3-one Openeye Name: 5-(3-imidazol-1-ylpropylamino)-2H-1,2,4-triazin-3-one CAS Name: 5-[3-(1-imidazolyl)propylamino]-2H-1,2,4-triazin-3-one IUPAC Name: 5-(3-imidazol-1-ylpropylamino)-2H-1,2,4-triazin-3-one Traditional Name: 5-(3-imidazol-1-ylpropylamino)-2H-1,2,4-triazin-3-one Formula: C9H12N6O MolecularWeight: 220.23118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC2=NC(=O)NN=C2

Isomeric SMILES

C1=CN(C=N1)CCCNC2=NC(=O)NN=C2

InChI

InChI=1S/C9H12N6O/c16-9-13-8(6-12-14-9)11-2-1-4-15-5-3-10-7-15/h3,5-7H,1-2,4H2,(H2,11,13,14,16)