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Chemical structure of H-β-(1,2,4-Triazol-1-yl)-DL-Ala-OH

GA23055

H-β-(1,2,4-Triazol-1-yl)-DL-Ala-OH

Also known as 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid

Triazolylalanine is a common metabolite of triazole fungicides and pesticides in plants· Former CAS-number 86362-20-1

ChemicalCAS114419-45-3MW156.14FormulaC5H8N4O2
CAS number
114419-45-3
Molecular weight
156.14
Formula
C5H8N4O2
Solubility
Soluble in DMSO
InChIKey
XVWFTOJHOHJIMQ-UHFFFAOYSA-N
Catalogue number
GA23055
Brand
GLPBIO
Computed properties PubChem CID 5216290 · XLogP -3.7 · TPSA 94 Ų · H-bond donors 2
XLogP
-3.7
TPSA
94 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
11

SMILES C1=NN(C=N1)CC(C(=O)O)N

Computed descriptors from PubChem (CID 5216290), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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