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

C13H10F3N5OS — CID 130365275

IUPAC7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccccc2OC(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5OS/c14-13(15,16)22-8-4-2-1-3-7(8)6-23-9-5-10(17)18-12-11(9)19-21-20-12/h1-5H,6H2,(H3,17,18,19,20,21)
InChIKeyZVLBXPAAOOJODK-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.13
Rot. Bonds4

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

7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365275) has the molecular formula C13H10F3N5OS and a molecular weight of 341.32 g/mol. Its IUPAC name is 7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365275
Molecular FormulaC13H10F3N5OS
Molecular Weight341.32 g/mol
Exact Mass341.06
IUPAC Name7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccccc2OC(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5OS/c14-13(15,16)22-8-4-2-1-3-7(8)6-23-9-5-10(17)18-12-11(9)19-21-20-12/h1-5H,6H2,(H3,17,18,19,20,21)
InChIKeyZVLBXPAAOOJODK-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

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Related Compounds

US10214527, Example 29
CID 126678964
US10214527, Example 27
CID 126679215
US10981879, Example 105
CID 130365222
US10981879, Example 66
CID 130365228
US10981879, Example 7
CID 130365231
US10981879, Example 49
CID 130365244
US10981879, Example 109
CID 130378565
US10214527, Example 36
CID 126677806
US10981879, Example 110
CID 130365175
US10981879, Example 9
CID 130365213
US10981879, Example 69
CID 130365214
US10981879, Example 98
CID 130378549

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365275) is 7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(SCc2ccccc2OC(F)(F)F)c2n[nH]nc2n1.
What is the InChIKey of 7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ZVLBXPAAOOJODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5OS/c14-13(15,16)22-8-4-2-1-3-7(8)6-23-9-5-10(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-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-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-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).