Home Other Building Blocks 3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine dihydrochloride

3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine dihydrochloride

CAS No.:
1052547-33-7
Catalog Number:
AG019P6E
Molecular Formula:
C12H15Cl2F3N4
Molecular Weight:
343.1755
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Product Description
Catalog Number:
AG019P6E
Chemical Name:
3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine dihydrochloride
CAS Number:
1052547-33-7
Molecular Formula:
C12H15Cl2F3N4
Molecular Weight:
343.1755
MDL Number:
MFCD07687274
IUPAC Name:
3-piperidin-3-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride
InChI:
InChI=1S/C12H13F3N4.2ClH/c13-12(14,15)9-3-4-10-17-18-11(19(10)7-9)8-2-1-5-16-6-8;;/h3-4,7-8,16H,1-2,5-6H2;2*1H
InChI Key:
FZCYIIGGIZRWDX-UHFFFAOYSA-N
SMILES:
FC(c1ccc2n(c1)c(nn2)C1CCCNC1)(F)F.Cl.Cl
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.063g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
343.175g/mol
Monoisotopic Mass:
342.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties