Home Amines 1204298-17-8
1204298-17-8,MFCD16652760
Catalog No.:AA01AQGK
1204298-17-8 | [3-(3-Pyridin-4-yl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]amine
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Technical Information
Catalog Number:
AA01AQGK
Chemical Name:
[3-(3-Pyridin-4-yl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]amine
CAS Number:
1204298-17-8
Molecular Formula:
C16H12N6
Molecular Weight:
288.3067
MDL Number:
MFCD16652760
IUPAC Name:
3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)aniline
InChI:
InChI=1S/C16H12N6/c17-13-3-1-2-12(10-13)14-4-5-15-19-20-16(22(15)21-14)11-6-8-18-9-7-11/h1-10H,17H2
InChI Key:
XUAVJJSZBDDXQH-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1ccc2n(n1)c(nn2)c1ccncc1
Properties
Computed Properties
 
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.112g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.314g/mol
Monoisotopic Mass:
288.112g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
[3-(3-pyridin-4-yl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]amine 
1204298-17-8 
ZINC38478055 
AKOS015956067 
MCULE-5542369339 
L-4286 
F1967-0629 
3-[3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline 
Literature
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