2-azanyl-3-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl]propionic acid Formula: C11H14N6O2 MolecularWeight: 262.26786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)NC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)NC2=NNC(=N2)N

InChI

InChI=1S/C11H14N6O2/c12-8(9(18)19)5-6-1-3-7(4-2-6)14-11-15-10(13)16-17-11/h1-4,8H,5,12H2,(H,18,19)(H4,13,14,15,16,17)