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

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

C1CN(CCN1CCC(=O)O)C(=O)CCN2C=NC=N2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)CCN2C=NC=N2

InChI

InChI=1S/C12H19N5O3/c18-11(1-4-17-10-13-9-14-17)16-7-5-15(6-8-16)3-2-12(19)20/h9-10H,1-8H2,(H,19,20)