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4-[(3,5-Dipyridin-4-Yl-1,2,4-Triazol-1-Yl)Methyl]Pyridine

Catalog Number
ACM55391429-1
Product Name
4-[(3,5-Dipyridin-4-Yl-1,2,4-Triazol-1-Yl)Methyl]Pyridine
CAS
55391-42-9
Category
Nitrogen-containing MOF ligand-ternary nitrogen-containing MOF ligand
IUPAC Name
4-[(3,5-dipyridin-4-yl-1,2,4-triazol-1-yl)methyl]pyridine
Molecular Weight
314.3g/mol
Molecular Formula
C18H14N6
InChI
InChI=1S/C18H14N6/c1-7-19-8-2-14(1)13-24-18(16-5-11-21-12-6-16)22-17(23-24)15-3-9-20-10-4-15/h1-12H,13H2
InChI Key
NIAFHHJVIVAPDQ-UHFFFAOYSA-N
Complexity
374
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
314.12799447g/mol
Formal Charge
0
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Length
0.5-2 um
Monoisotopic Mass
314.12799447g/mol
Rotatable Bond Count
4
SSA
>233m2/g
Topological Polar Surface Area
69.4Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.7
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