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N-{[2-(trifluoromethyl)phenyl]methyl}-2H-pyrazolo[3,4-d]pyrimidin-4-amine

N-{[2-(trifluoromethyl)phenyl]methyl}-2H-pyrazolo[3,4-d]pyrimidin-4-amine

Formula: C13H10F3N5

SMILES: FC(F)(F)C1=CC=CC=C1CNC1=NC=NC2=NNC=C12

IUPAC: N-{[2-(trifluoromethyl)phenyl]methyl}-2H-pyrazolo[3,4-d]pyrimidin-4-amine

InChI: InChI=1S/C13H10F3N5/c14-13(15,16)10-4-2-1-3-8(10)5-17-11-9-6-20-21-12(9)19-7-18-11/h1-4,6-7H,5H2,(H2,17,18,19,20,21)

Composition: C (53.25%), H (3.44%), F (19.44%), N (23.88%)

Molar Mass: 293.253

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 293.088829831
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NSVAZZJGOAMXGY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.15
Topological Polar Surface Area 66.49
Polarizability 25.88
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H10F3N5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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