Home Deuterated Building Blocks 1204298-34-9
1204298-34-9,MFCD16652746
Catalog No.:AA01AQCL
1204298-34-9 | (2-([3-(3-METHOXYPHENYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL]OXY)ETHYL)AM+
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Technical Information
Catalog Number:
AA01AQCL
Chemical Name:
(2-([3-(3-METHOXYPHENYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL]OXY)ETHYL)AM+
CAS Number:
1204298-34-9
Molecular Formula:
C14H15N5O2
Molecular Weight:
285.3012
MDL Number:
MFCD16652746
IUPAC Name:
2-[[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine
InChI:
InChI=1S/C14H15N5O2/c1-20-11-4-2-3-10(9-11)14-17-16-12-5-6-13(18-19(12)14)21-8-7-15/h2-6,9H,7-8,15H2,1H3
InChI Key:
MBFYXDMWEFUHLB-UHFFFAOYSA-N
SMILES:
NCCOc1ccc2n(n1)c(nn2)c1cccc(c1)OC
Properties
Computed Properties
 
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.123g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.307g/mol
Monoisotopic Mass:
285.123g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
(2-{[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)amine 
1204298-34-9 
ZINC38478041 
AKOS015956180 
MCULE-8939584785 
L-5052 
F1967-0610 
6-(2-aminoethoxy)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine 
Literature
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