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2-{[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}pyridine

2-{[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}pyridine

Formula: C11H6F3N5S

SMILES: FC(F)(F)C1=NN=C2C=CC(SC3=CC=CC=N3)=NN12

IUPAC: 2-{[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}pyridine

InChI: InChI=1S/C11H6F3N5S/c12-11(13,14)10-17-16-7-4-5-9(18-19(7)10)20-8-3-1-2-6-15-8/h1-6H

Composition: C (44.45%), H (2.03%), F (19.17%), N (23.56%), S (10.79%)

Molar Mass: 297.26

Atom Count: 26

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 297.029600876
Formal Charge 0
FSP3 0.09
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey JZHIDCAROUSTHJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.59
Topological Polar Surface Area 55.97
Polarizability 24.54
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H6F3N5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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