2-(methylsulfanyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

2-(methylsulfanyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

CAS: 866019-43-4

Formula: C13H9F3N4S

SMILES: CSC1=NN2C=CC(=NC2=N1)C1=CC(=CC=C1)C(F)(F)F

IUPAC: 2-(methylsulfanyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

InChI: InChI=1S/C13H9F3N4S/c1-21-12-18-11-17-10(5-6-20(11)19-12)8-3-2-4-9(7-8)13(14,15)16/h2-7H,1H3

Composition: C (50.32%), H (2.92%), F (18.37%), N (18.06%), S (10.33%)

Molar Mass: 310.3

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	310.050001969
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RSIORMBDMKLWLJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.05
Topological Polar Surface Area	43.08
Polarizability	28.42
Ring Count	3
Rotatable Bond Count	3

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