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3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

Formula: C18H12F3N3O

SMILES: COC1=C(C2=NN=C3C=CC(=CN23)C(F)(F)F)C2=CC=CC=C2C=C1

IUPAC: 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

InChI: InChI=1S/C18H12F3N3O/c1-25-14-8-6-11-4-2-3-5-13(11)16(14)17-23-22-15-9-7-12(10-24(15)17)18(19,20)21/h2-10H,1H3

Composition: C (62.97%), H (3.52%), F (16.60%), N (12.24%), O (4.66%)

Molar Mass: 343.309

Atom Count: 37

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 343.093246507
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QPFUXOOFPBYPOA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.14
Topological Polar Surface Area 39.42
Polarizability 33.63
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H12F3N3O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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