Home Fluorides 1204297-71-1
1204297-71-1,MFCD16652749
Catalog No.:AA01AQCO
1204297-71-1 | (2-([3-(3-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy)ethyl)amine
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Technical Information
Catalog Number:
AA01AQCO
Chemical Name:
(2-([3-(3-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy)ethyl)amine
CAS Number:
1204297-71-1
Molecular Formula:
C13H12FN5O
Molecular Weight:
273.2657
MDL Number:
MFCD16652749
IUPAC Name:
2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine
InChI:
InChI=1S/C13H12FN5O/c14-10-3-1-2-9(8-10)13-17-16-11-4-5-12(18-19(11)13)20-7-6-15/h1-5,8H,6-7,15H2
InChI Key:
KYUBDRWITBSVNQ-UHFFFAOYSA-N
SMILES:
NCCOc1ccc2n(n1)c(nn2)c1cccc(c1)F
Properties
Computed Properties
 
Complexity:
321  
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-(3-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)amine 
1204297-71-1 
ZINC38478044 
AKOS015956198 
MCULE-2011245915 
L-5054 
F1967-0613 
6-(2-aminoethoxy)-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine 
Literature
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