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1204296-37-6,MFCD16652747
Catalog No.:AA01AQCM
1204296-37-6 | (2-([3-(4-METHOXYPHENYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL]OXY)ETHYL)AM+
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Technical Information
Catalog Number:
AA01AQCM
Chemical Name:
(2-([3-(4-METHOXYPHENYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL]OXY)ETHYL)AM+
CAS Number:
1204296-37-6
Molecular Formula:
C14H15N5O2
Molecular Weight:
285.3012
MDL Number:
MFCD16652747
IUPAC Name:
2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine
InChI:
InChI=1S/C14H15N5O2/c1-20-11-4-2-10(3-5-11)14-17-16-12-6-7-13(18-19(12)14)21-9-8-15/h2-7H,8-9,15H2,1H3
InChI Key:
QJHWGOKUBJULBD-UHFFFAOYSA-N
SMILES:
NCCOc1ccc2n(n1)c(nn2)c1ccc(cc1)OC
Properties
Computed Properties
 
Complexity:
325  
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-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)amine 
1204296-37-6 
ZINC38478042 
AKOS015956196 
MCULE-2510957340 
L-5053 
F1967-0611 
6-(2-aminoethoxy)-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine 
N/A 
Literature
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