6-[(4-methoxyphenyl)sulfanyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[(4-methoxyphenyl)sulfanyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

CAS: 339017-51-5

Formula: C13H9F3N4OS

SMILES: COC1=CC=C(SC2=NN3C(C=C2)=NN=C3C(F)(F)F)C=C1

IUPAC: 6-[(4-methoxyphenyl)sulfanyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

InChI: InChI=1S/C13H9F3N4OS/c1-21-8-2-4-9(5-3-8)22-11-7-6-10-17-18-12(13(14,15)16)20(10)19-11/h2-7H,1H3

Composition: C (47.85%), H (2.78%), F (17.47%), N (17.17%), O (4.90%), S (9.83%)

Molar Mass: 326.3

Atom Count: 31

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	326.044916589
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NNDLODPWBIAQQU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.9
Topological Polar Surface Area	52.31
Polarizability	27.89
Ring Count	3
Rotatable Bond Count	4

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