2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

C19H11F3N6O2S2 — CID 27373885

IUPAC2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)n2nc(-c3cccs3)cc12
InChIInChI=1S/C19H11F3N6O2S2/c20-19(21,22)11-4-1-3-10(7-11)16-23-15(30-27-16)9-32-18-25-24-17(29)13-8-12(26-28(13)18)14-5-2-6-31-14/h1-8H,9H2,(H,24,29)
InChIKeyFAVWOAMWMYSBSK-UHFFFAOYSA-N
MW476.47 g/mol
LogP4.51
Rot. Bonds5

About 2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 27373885) has the molecular formula C19H11F3N6O2S2 and a molecular weight of 476.47 g/mol. Its IUPAC name is 2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID27373885
Molecular FormulaC19H11F3N6O2S2
Molecular Weight476.47 g/mol
Exact Mass476.03
IUPAC Name2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)n2nc(-c3cccs3)cc12
InChIInChI=1S/C19H11F3N6O2S2/c20-19(21,22)11-4-1-3-10(7-11)16-23-15(30-27-16)9-32-18-25-24-17(29)13-8-12(26-28(13)18)14-5-2-6-31-14/h1-8H,9H2,(H,24,29)
InChIKeyFAVWOAMWMYSBSK-UHFFFAOYSA-N
XLogP4.51
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 66779429
2-(thiophen-2-yl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27373006
5-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27373009
7-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 27373890
5-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372982
5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27373024
7-({[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 27373869
5-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 16956642
2-(4-Fluorophenyl)-7-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-YL]methyl}sulfanyl)-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-4-one
CID 49668617
2-(4-Fluorophenyl)-7-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-YL]methyl}sulfanyl)-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-4-one
CID 50786617
2-(4-Fluorophenyl)-7-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-YL]methyl}sulfanyl)-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-4-one
CID 50786637
5-{[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-YL]methyl}-2-(thiophen-2-YL)-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 53076236

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 27373885) is 2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1[nH]nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)n2nc(-c3cccs3)cc12.
What is the InChIKey of 2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is FAVWOAMWMYSBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N6O2S2/c20-19(21,22)11-4-1-3-10(7-11)16-23-15(30-27-16)9-32-18-25-24-17(29)13-8-12(26-28(13)18)14-5-2-6-31-14/h1-8H,9H2,(H,24,29).
What are the key properties of 2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 476.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 27373885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).