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Home > Pyridines > 874198-12-6
874198-12-6 | Pyridine, 2,2'-[4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3,5-diyl]bis-
CAS No: 874198-12-6 Catalog No: AG004MYA MDL No:
Product Description
Catalog Number:
AG004MYA
Chemical Name:
Pyridine, 2,2'-[4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3,5-diyl]bis-
CAS Number:
874198-12-6
Molecular Formula:
C20H17N5O
Molecular Weight:
343.3819
IUPAC Name:
2-[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine
InChI:
InChI=1S/C20H17N5O/c1-2-26-16-11-9-15(10-12-16)25-19(17-7-3-5-13-21-17)23-24-20(25)18-8-4-6-14-22-18/h3-14H,2H2,1H3
InChI Key:
NEMMFHGEBINPNA-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)n1c(nnc1c1ccccn1)c1ccccn1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.39g/mol
Monoisotopic Mass:
343.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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