7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

C14H12F3N5S — CID 130365180

IUPAC7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(Sc1cc(N)nc2n[nH]nc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3N5S/c1-7(8-4-2-3-5-9(8)14(15,16)17)23-10-6-11(18)19-13-12(10)20-22-21-13/h2-7H,1H3,(H3,18,19,20,21,22)
InChIKeyIETUNSHWJPGEKM-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.81
Rot. Bonds3

About 7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365180) has the molecular formula C14H12F3N5S and a molecular weight of 339.35 g/mol. Its IUPAC name is 7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365180
Molecular FormulaC14H12F3N5S
Molecular Weight339.35 g/mol
Exact Mass339.08
IUPAC Name7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(Sc1cc(N)nc2n[nH]nc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3N5S/c1-7(8-4-2-3-5-9(8)14(15,16)17)23-10-6-11(18)19-13-12(10)20-22-21-13/h2-7H,1H3,(H3,18,19,20,21,22)
InChIKeyIETUNSHWJPGEKM-UHFFFAOYSA-N
XLogP3.81
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365180) is 7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is CC(Sc1cc(N)nc2n[nH]nc12)c1ccccc1C(F)(F)F.
What is the InChIKey of 7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is IETUNSHWJPGEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5S/c1-7(8-4-2-3-5-9(8)14(15,16)17)23-10-6-11(18)19-13-12(10)20-22-21-13/h2-7H,1H3,(H3,18,19,20,21,22).
What are the key properties of 7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 339.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(trifluoromethyl)phenyl]ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).