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4-Amino-3,5-Di-2-Pyridyl-4H-1,2,4-Triazole

Catalog Number
ACM1671881
CAS Number
1671-88-1
Product Name
4-Amino-3,5-Di-2-Pyridyl-4H-1,2,4-Triazole
Structure
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
IUPAC Name
3,5-dipyridin-2-yl-1,2,4-triazol-4-amine
Molecular Weight
238.25
Molecular Formula
C12H10N6
InChI
InChI=1S/C12H10N6/c13-18-11(9-5-1-3-7-14-9)16-17-12(18)10-6-2-4-8-15-10/h1-8H,13H2
InChI Key
VHRKXLULSZZZQT-UHFFFAOYSA-N
Complexity
247
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
238.09669434g/mol
Formal Charge
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
238.09669434g/mol
Number of Layer
1-5 layers
Rotatable Bond Count
2
Topological Polar Surface Area
82.5Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.4
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