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1780-74-1 | 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-ethyl-6-(trifluoromethyl)-
CAS No: 1780-74-1 Catalog No: AG0025PJ MDL No:
Product Description
Catalog Number:
AG0025PJ
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-ethyl-6-(trifluoromethyl)-
CAS Number:
1780-74-1
Molecular Formula:
C8H8F3N5
Molecular Weight:
231.1778
IUPAC Name:
N-ethyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C8H8F3N5/c1-2-12-5-4-3-13-16-6(4)15-7(14-5)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14,15,16)
InChI Key:
HDZNWDXAWOPGQS-UHFFFAOYSA-N
SMILES:
CCNc1nc(nc2c1cn[nH]2)C(F)(F)F
NSC Number:
67094
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.182g/mol
Monoisotopic Mass:
231.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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