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Home > Pyridines > 137956-21-9
137956-21-9 | 1,2,4-Triazine, 3-[6-(2-[2,2'-bipyridin]-6-ylethyl)-2-pyridinyl]-5,6-dimethyl-
CAS No: 137956-21-9 Catalog No: AG0017PN MDL No:
Product Description
Catalog Number:
AG0017PN
Chemical Name:
1,2,4-Triazine, 3-[6-(2-[2,2'-bipyridin]-6-ylethyl)-2-pyridinyl]-5,6-dimethyl-
CAS Number:
137956-21-9
Molecular Formula:
C22H20N6
Molecular Weight:
368.4344
IUPAC Name:
5,6-dimethyl-3-[6-[2-(6-pyridin-2-ylpyridin-2-yl)ethyl]pyridin-2-yl]-1,2,4-triazine
InChI:
InChI=1S/C22H20N6/c1-15-16(2)27-28-22(24-15)21-11-6-8-18(26-21)13-12-17-7-5-10-20(25-17)19-9-3-4-14-23-19/h3-11,14H,12-13H2,1-2H3
InChI Key:
NZYHWCQEVILPEP-UHFFFAOYSA-N
SMILES:
Cc1nnc(nc1C)c1cccc(n1)CCc1cccc(n1)c1ccccn1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.175g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.444g/mol
Monoisotopic Mass:
368.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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