NAVIGATION

4-(1-Benzyl-5-Pyridin-4-Yl-1,2,4-Triazol-3-Yl)Pyridine

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Catalog NumberACM55391372-1

CAS Number55391-37-2

CategoryNitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand

IUPAC Name
4-(1-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine
Molecular Weight
313.4g/mol
Molecular Formula
C19H15N5
InChI
InChI=1S/C19H15N5/c1-2-4-15(5-3-1)14-24-19(17-8-12-21-13-9-17)22-18(23-24)16-6-10-20-11-7-16/h1-13H,14H2
InChI Key
IITGLCXOYVZAHN-UHFFFAOYSA-N
Complexity
372
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
313.13274550g/mol
Formal Charge
0
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
313.13274550g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
56.5Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.8
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