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1204297-46-0,MFCD16652762
Catalog No.:AA01AQGM
1204297-46-0 | (3-[3-(2-THIENYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL]PHENYL)AMINE
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Technical Information
Catalog Number:
AA01AQGM
Chemical Name:
(3-[3-(2-THIENYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL]PHENYL)AMINE
CAS Number:
1204297-46-0
Molecular Formula:
C15H11N5S
Molecular Weight:
293.3463
MDL Number:
MFCD16652762
IUPAC Name:
3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)aniline
InChI:
InChI=1S/C15H11N5S/c16-11-4-1-3-10(9-11)12-6-7-14-17-18-15(20(14)19-12)13-5-2-8-21-13/h1-9H,16H2
InChI Key:
ARJHZHVNINWENX-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1ccc2n(n1)c(nn2)c1cccs1
Properties
Computed Properties
 
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.074g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
293.348g/mol
Monoisotopic Mass:
293.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
{3-[3-(2-thienyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl}amine 
1204297-46-0 
ZINC38478057 
AKOS015956069 
MCULE-5267020892 
L-4288 
F1967-0631 
3-[3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline 
N/A 
Literature
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