2-Pyridinecarbonitrile, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-


Chemical Name: 2-Pyridinecarbonitrile, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CAS Number: 577778-58-6
Product Number: AG003HX3(AGN-PC-0LPLS5)
Synonyms:
MDL No:
Molecular Formula: C13H8N6
Molecular Weight: 248.2428

Identification/Properties


Properties
BP:
594.7±60.0°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
248.249g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
248.081g/mol
Monoisotopic Mass:
248.081g/mol
Topological Polar Surface Area:
91.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
344
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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