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202929-20-2 | 1,2,4-Triazolo[4,3-b]pyridazine, 3,7-diphenyl-6-(2-pyridinylmethoxy)-
CAS No: 202929-20-2 Catalog No: AG0028KF MDL No:
Product Description
Catalog Number:
AG0028KF
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine, 3,7-diphenyl-6-(2-pyridinylmethoxy)-
CAS Number:
202929-20-2
Molecular Formula:
C23H17N5O
Molecular Weight:
379.4140
IUPAC Name:
3,7-diphenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine
InChI:
InChI=1S/C23H17N5O/c1-3-9-17(10-4-1)20-15-21-25-26-22(18-11-5-2-6-12-18)28(21)27-23(20)29-16-19-13-7-8-14-24-19/h1-15H,16H2
InChI Key:
OIVNHVRINWMDTH-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)COc1nn2c(cc1c1ccccc1)nnc2c1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.143g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.423g/mol
Monoisotopic Mass:
379.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| 7-(1,1-Dimethylethyl)-6-(2-ethyl-2H-1,2,4-triazol-3-ylmethoxy)-3-(2-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazine: a functionally selective gamma-aminobutyric acid(A) (GABA(A)) alpha2/alpha3-subtype selective agonist that exhibits potent anxiolytic activity but is not sedating in animal models. | Journal of medicinal chemistry 20051117 |
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