[3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane

C14H10F7N5OS — CID 142362443

IUPAC[3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane
SMILESCS(C)(Oc1ncc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1F)C(F)(F)F
InChIInChI=1S/C14H10F7N5OS/c1-28(2,14(19,20)21)27-11-8(15)3-7(4-23-11)9-6-26-10(5-22-9)24-25-12(26)13(16,17)18/h3-6H,1-2H3
InChIKeyCQRVZFFYKJOYOO-UHFFFAOYSA-N
MW429.32 g/mol
LogP4.22
Rot. Bonds3

About [3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane

[3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane (PubChem CID 142362443) has the molecular formula C14H10F7N5OS and a molecular weight of 429.32 g/mol. Its IUPAC name is [3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane.

Molecular Properties

Compound Name[3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane
PubChem CID142362443
Molecular FormulaC14H10F7N5OS
Molecular Weight429.32 g/mol
Exact Mass429.05
IUPAC Name[3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane
SMILESCS(C)(Oc1ncc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1F)C(F)(F)F
InChIInChI=1S/C14H10F7N5OS/c1-28(2,14(19,20)21)27-11-8(15)3-7(4-23-11)9-6-26-10(5-22-9)24-25-12(26)13(16,17)18/h3-6H,1-2H3
InChIKeyCQRVZFFYKJOYOO-UHFFFAOYSA-N
XLogP4.22
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane?
The IUPAC name of [3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane (CID 142362443) is [3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane.
What is the SMILES notation for [3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane?
The canonical SMILES for [3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane is CS(C)(Oc1ncc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1F)C(F)(F)F.
What is the InChIKey of [3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane?
The InChIKey is CQRVZFFYKJOYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F7N5OS/c1-28(2,14(19,20)21)27-11-8(15)3-7(4-23-11)9-6-26-10(5-22-9)24-25-12(26)13(16,17)18/h3-6H,1-2H3.
What are the key properties of [3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane?
[3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane has a molecular weight of 429.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane is sourced from PubChem (CID 142362443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).