3-[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[1-oxo-2-(1,2,4-triazol-1-yl)propyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazino]propionic acid Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CCC(=O)O)N2C=NC=N2

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CCC(=O)O)N2C=NC=N2

InChI

InChI=1S/C12H19N5O3/c1-10(17-9-13-8-14-17)12(20)16-6-4-15(5-7-16)3-2-11(18)19/h8-10H,2-7H2,1H3,(H,18,19)