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Chemical structure of 4-Phenyl-1H-1,2,3-triazole

GC76963

4-Phenyl-1H-1,2,3-triazole

Also known as 4-phenyl-2H-triazole

4-Phenyl-1H-1,2,3-triazole is an IDO1 inhibitor (IC50: 60 μM)

ChemicalCAS1680-44-0MW145.16FormulaC8H7N3
CAS number
1680-44-0
Molecular weight
145.16
Formula
C8H7N3
Solubility
DMSO： 25 mg/mL (172·22 mM; Need ultrasonic)
InChIKey
LUEYUHCBBXWTQT-UHFFFAOYSA-N
Catalogue number
GC76963
Brand
GLPBIO
Computed properties PubChem CID 137153 · XLogP 1.3 · TPSA 41.6 Ų · H-bond donors 1
XLogP
1.3
TPSA
41.6 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

SMILES C1=CC=C(C=C1)C2=NNN=C2

Computed descriptors from PubChem (CID 137153), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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