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1780-73-0 | 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-methyl-6-(trifluoromethyl)-
CAS No: 1780-73-0 Catalog No: AG0025PK MDL No:
Product Description
Catalog Number:
AG0025PK
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-methyl-6-(trifluoromethyl)-
CAS Number:
1780-73-0
Molecular Formula:
C7H6F3N5
Molecular Weight:
217.1512
IUPAC Name:
N-methyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C7H6F3N5/c1-11-4-3-2-12-15-5(3)14-6(13-4)7(8,9)10/h2H,1H3,(H2,11,12,13,14,15)
InChI Key:
PUXYUKSGZBHRCD-UHFFFAOYSA-N
SMILES:
CNc1nc(nc2c1cn[nH]2)C(F)(F)F
NSC Number:
67631
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.155g/mol
Monoisotopic Mass:
217.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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