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Home Other Building Blocks 3-(2-PYRIDYL)-5-(4-PYRIDYL)-1,2,4-TRIAZOLE

3-(2-PYRIDYL)-5-(4-PYRIDYL)-1,2,4-TRIAZOLE

CAS No.:
36770-50-0
Catalog Number:
AG003EUC
Molecular Formula:
C12H9N5
Molecular Weight:
223.2334
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Product Description
Catalog Number:
AG003EUC
Chemical Name:
3-(2-PYRIDYL)-5-(4-PYRIDYL)-1,2,4-TRIAZOLE
CAS Number:
36770-50-0
Molecular Formula:
C12H9N5
Molecular Weight:
223.2334
MDL Number:
MFCD00101970
IUPAC Name:
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
InChI:
InChI=1S/C12H9N5/c1-2-6-14-10(3-1)12-15-11(16-17-12)9-4-7-13-8-5-9/h1-8H,(H,15,16,17)
InChI Key:
WOFXUCJTFGKKIF-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1[nH]nc(n1)c1ccccn1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.086g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.239g/mol
Monoisotopic Mass:
223.086g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
DMF/H2O volume ratio controls the syntheses and transformations of a series of cobalt complexes constructed using a rigid angular multitopic ligand. Inorganic chemistry 20100621
Discovery of 3-(2-cyano-4-pyridyl)-5-(4-pyridyl)-1,2,4-triazole, FYX-051 - a xanthine oxidoreductase inhibitor for the treatment of hyperuricemia [corrected]. Bioorganic & medicinal chemistry letters 20091101
Porous manganese(II) 3-(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazolate frameworks: rational self-assembly, supramolecular isomerism, solid-state transformation, and sorption properties. Inorganic chemistry 20090720
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties