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1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azepane

1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azepane

Formula: C12H14F3N5

SMILES: FC(F)(F)C1=NN=C2C=CC(=NN12)N1CCCCCC1

IUPAC: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azepane

InChI: InChI=1S/C12H14F3N5/c13-12(14,15)11-17-16-9-5-6-10(18-20(9)11)19-7-3-1-2-4-8-19/h5-6H,1-4,7-8H2

Composition: C (50.52%), H (4.95%), F (19.98%), N (24.55%)

Molar Mass: 285.274

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 285.12012996
Formal Charge 0
FSP3 0.58
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey IVQNLZLTODPMKU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.93
Topological Polar Surface Area 46.32
Polarizability 24.23
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H14F3N5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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