Home Other Building Blocks [7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine dihydrochloride

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

CAS No.:
2031259-13-7
Catalog Number:
AG01B7HR
Molecular Formula:
C8H9Cl2F3N4
Molecular Weight:
289.0851
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Product Description
Catalog Number:
AG01B7HR
Chemical Name:
[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine dihydrochloride
CAS Number:
2031259-13-7
Molecular Formula:
C8H9Cl2F3N4
Molecular Weight:
289.0851
MDL Number:
MFCD30344782
IUPAC Name:
[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine;dihydrochloride
InChI:
InChI=1S/C8H7F3N4.2ClH/c9-8(10,11)5-1-2-15-6(3-5)13-14-7(15)4-12;;/h1-3H,4,12H2;2*1H
InChI Key:
JQZDKQGKGBQIIM-UHFFFAOYSA-N
SMILES:
NCc1nnc2n1ccc(c2)C(F)(F)F.Cl.Cl
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.016g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
289.083g/mol
Monoisotopic Mass:
288.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties