6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H7F3N6S — CID 106775157

IUPAC6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Sc2nnc3ccccn23)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N6S/c12-11(13,14)9-16-6(15)5-8(17-9)21-10-19-18-7-3-1-2-4-20(7)10/h1-5H,(H2,15,16,17)
InChIKeyLQYJVYITMLBIKA-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.27
Rot. Bonds2

About 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775157) has the molecular formula C11H7F3N6S and a molecular weight of 312.28 g/mol. Its IUPAC name is 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775157
Molecular FormulaC11H7F3N6S
Molecular Weight312.28 g/mol
Exact Mass312.04
IUPAC Name6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Sc2nnc3ccccn23)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N6S/c12-11(13,14)9-16-6(15)5-8(17-9)21-10-19-18-7-3-1-2-4-20(7)10/h1-5H,(H2,15,16,17)
InChIKeyLQYJVYITMLBIKA-UHFFFAOYSA-N
XLogP2.27
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

[2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80940852
4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80889557
6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775261
7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136577628
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline
CID 55132687
6-(3,4-dimethylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774896
6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775121
2-amino-3-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
CID 83207534
1-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 62912279
(1R)-1-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63371478
9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine
CID 59053612
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide
CID 55126545

Frequently Asked Questions

What is the IUPAC name of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775157) is 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(Sc2nnc3ccccn23)nc(C(F)(F)F)n1.
What is the InChIKey of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LQYJVYITMLBIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6S/c12-11(13,14)9-16-6(15)5-8(17-9)21-10-19-18-7-3-1-2-4-20(7)10/h1-5H,(H2,15,16,17).
What are the key properties of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 312.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).