3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

C12H14F3N3S — CID 134097269

IUPAC3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESCN1CN=C(SCc2cccc(C(F)(F)F)c2)NC1
InChIInChI=1S/C12H14F3N3S/c1-18-7-16-11(17-8-18)19-6-9-3-2-4-10(5-9)12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyJYHQQCRXKYFSST-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.74
Rot. Bonds2

About 3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 134097269) has the molecular formula C12H14F3N3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
PubChem CID134097269
Molecular FormulaC12H14F3N3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESCN1CN=C(SCc2cccc(C(F)(F)F)c2)NC1
InChIInChI=1S/C12H14F3N3S/c1-18-7-16-11(17-8-18)19-6-9-3-2-4-10(5-9)12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyJYHQQCRXKYFSST-UHFFFAOYSA-N
XLogP2.74
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,7,7-tetramethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6-dihydro-1H-1,3-diazepine;hydrate;hydrochloride
CID 2797331
(5S)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 143001536
5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
CID 1490765
5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 2777478
3-cyclohexyl-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 17303270
3-tert-butyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 35975987
5,6-dimethyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135732192
1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
CID 2148737
N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide
CID 30123931
7-chloro-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2H-1,2,4-benzothiadiazine
CID 57256747
1,3,9-trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]purine-2,6-dione
CID 7287653
4-methyl-3-thiophen-2-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 2001525

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (CID 134097269) is 3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is CN1CN=C(SCc2cccc(C(F)(F)F)c2)NC1.
What is the InChIKey of 3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is JYHQQCRXKYFSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3S/c1-18-7-16-11(17-8-18)19-6-9-3-2-4-10(5-9)12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17).
What are the key properties of 3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 289.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 134097269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).