7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

C16H11FN4OS2 — CID 27373848

IUPAC7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]nc(SCc2ccccc2F)n2nc(-c3cccs3)cc12
InChIInChI=1S/C16H11FN4OS2/c17-11-5-2-1-4-10(11)9-24-16-19-18-15(22)13-8-12(20-21(13)16)14-6-3-7-23-14/h1-8H,9H2,(H,18,22)
InChIKeyBXMCGXZVGLFGSJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.58
Rot. Bonds4

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

7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 27373848) has the molecular formula C16H11FN4OS2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID27373848
Molecular FormulaC16H11FN4OS2
Molecular Weight358.42 g/mol
Exact Mass358.04
IUPAC Name7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]nc(SCc2ccccc2F)n2nc(-c3cccs3)cc12
InChIInChI=1S/C16H11FN4OS2/c17-11-5-2-1-4-10(11)9-24-16-19-18-15(22)13-8-12(20-21(13)16)14-6-3-7-23-14/h1-8H,9H2,(H,18,22)
InChIKeyBXMCGXZVGLFGSJ-UHFFFAOYSA-N
XLogP3.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 27373848) is 7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1[nH]nc(SCc2ccccc2F)n2nc(-c3cccs3)cc12.
What is the InChIKey of 7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is BXMCGXZVGLFGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4OS2/c17-11-5-2-1-4-10(11)9-24-16-19-18-15(22)13-8-12(20-21(13)16)14-6-3-7-23-14/h1-8H,9H2,(H,18,22).
What are the key properties of 7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 358.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 27373848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).