Home Fluorides 1204297-70-0
1204297-70-0,MFCD16652750
Catalog No.:AA01AQDS
1204297-70-0 | (2-([3-(4-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy)ethyl)amine
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Technical Information
Catalog Number:
AA01AQDS
Chemical Name:
(2-([3-(4-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy)ethyl)amine
CAS Number:
1204297-70-0
Molecular Formula:
C13H12FN5O
Molecular Weight:
273.2657
MDL Number:
MFCD16652750
IUPAC Name:
2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine
InChI:
InChI=1S/C13H12FN5O/c14-10-3-1-9(2-4-10)13-17-16-11-5-6-12(18-19(11)13)20-8-7-15/h1-6H,7-8,15H2
InChI Key:
KSEAZCACFHUSAG-UHFFFAOYSA-N
SMILES:
NCCOc1ccc2n(n1)c(nn2)c1ccc(cc1)F
Properties
Computed Properties
 
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.103g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.271g/mol
Monoisotopic Mass:
273.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
(2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)amine 
1204297-70-0 
ZINC38478045 
AKOS015956209 
MCULE-7550517818 
L-5055 
F1967-0614 
6-(2-aminoethoxy)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine 
N/A 
Literature
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