7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C13H10F3N5OS — CID 126678933

IUPAC7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(SC(F)(F)F)c2)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5OS/c14-13(15,16)23-8-3-1-2-7(4-8)6-22-9-5-10(17)18-12-11(9)19-21-20-12/h1-5H,6H2,(H3,17,18,19,20,21)
InChIKeyXEPBBHSMARTEMK-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.13
Rot. Bonds4

About 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126678933) has the molecular formula C13H10F3N5OS and a molecular weight of 341.32 g/mol. Its IUPAC name is 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126678933
Molecular FormulaC13H10F3N5OS
Molecular Weight341.32 g/mol
Exact Mass341.06
IUPAC Name7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(SC(F)(F)F)c2)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5OS/c14-13(15,16)23-8-3-1-2-7(4-8)6-22-9-5-10(17)18-12-11(9)19-21-20-12/h1-5H,6H2,(H3,17,18,19,20,21)
InChIKeyXEPBBHSMARTEMK-UHFFFAOYSA-N
XLogP3.13
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950274
7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648904
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649069
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-((4-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126678883
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
7-[(2,6-dichlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678975
7-((3-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126680348
7-[(2-chlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126680363
US10214527, Example 29
CID 126678964

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126678933) is 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cccc(SC(F)(F)F)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is XEPBBHSMARTEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5OS/c14-13(15,16)23-8-3-1-2-7(4-8)6-22-9-5-10(17)18-12-11(9)19-21-20-12/h1-5H,6H2,(H3,17,18,19,20,21).
What are the key properties of 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 341.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126678933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).