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

C13H10F3N5OS — CID 130365231

IUPAC7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccc(OC(F)(F)F)cc2)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5OS/c14-13(15,16)22-8-3-1-7(2-4-8)6-23-9-5-10(17)18-12-11(9)19-21-20-12/h1-5H,6H2,(H3,17,18,19,20,21)
InChIKeyKGVHLEDYZNSQIA-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.13
Rot. Bonds4

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

7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365231) has the molecular formula C13H10F3N5OS and a molecular weight of 341.32 g/mol. Its IUPAC name is 7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365231
Molecular FormulaC13H10F3N5OS
Molecular Weight341.32 g/mol
Exact Mass341.06
IUPAC Name7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccc(OC(F)(F)F)cc2)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5OS/c14-13(15,16)22-8-3-1-7(2-4-8)6-23-9-5-10(17)18-12-11(9)19-21-20-12/h1-5H,6H2,(H3,17,18,19,20,21)
InChIKeyKGVHLEDYZNSQIA-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
US10981879, Example 105
CID 130365222
US10981879, Example 66
CID 130365228
US10981879, Example 49
CID 130365244
US10981879, Example 29
CID 130365275
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
US10214527, Example 3
CID 135341277

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365231) is 7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(SCc2ccc(OC(F)(F)F)cc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is KGVHLEDYZNSQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5OS/c14-13(15,16)22-8-3-1-7(2-4-8)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-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[4-(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-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).