7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

C13H10F3N5S — CID 130365194

IUPAC7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccccc2C(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5S/c14-13(15,16)8-4-2-1-3-7(8)6-22-9-5-10(17)18-12-11(9)19-21-20-12/h1-5H,6H2,(H3,17,18,19,20,21)
InChIKeyHQEHPPDEUVDYQD-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.25
Rot. Bonds3

About 7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365194) has the molecular formula C13H10F3N5S and a molecular weight of 325.32 g/mol. Its IUPAC name is 7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365194
Molecular FormulaC13H10F3N5S
Molecular Weight325.32 g/mol
Exact Mass325.06
IUPAC Name7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccccc2C(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5S/c14-13(15,16)8-4-2-1-3-7(8)6-22-9-5-10(17)18-12-11(9)19-21-20-12/h1-5H,6H2,(H3,17,18,19,20,21)
InChIKeyHQEHPPDEUVDYQD-UHFFFAOYSA-N
XLogP3.25
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365194) is 7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(SCc2ccccc2C(F)(F)F)c2n[nH]nc2n1.
What is the InChIKey of 7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is HQEHPPDEUVDYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5S/c14-13(15,16)8-4-2-1-3-7(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-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 325.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).