Home Aminos 3-({7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl}amino)propanoic acid, trifluoroacetic acid

3-({7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl}amino)propanoic acid, trifluoroacetic acid

CAS No.:
1864058-45-6
Catalog Number:
AG01AUR2
Molecular Formula:
C12H13F3N4O4
Molecular Weight:
334.2512
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Product Description
Catalog Number:
AG01AUR2
Chemical Name:
3-({7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl}amino)propanoic acid, trifluoroacetic acid
CAS Number:
1864058-45-6
Molecular Formula:
C12H13F3N4O4
Molecular Weight:
334.2512
MDL Number:
MFCD29041177
IUPAC Name:
3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]propanoic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H12N4O2.C2HF3O2/c1-7-4-8(11-3-2-10(15)16)14-9(5-7)12-6-13-14;3-2(4,5)1(6)7/h4-6,11H,2-3H2,1H3,(H,15,16);(H,6,7)
InChI Key:
MPNRFDFIRIIRQR-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.OC(=O)CCNc1cc(C)cc2n1ncn2
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.089g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
334.255g/mol
Monoisotopic Mass:
334.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties