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

C16H11FN4OS2 — CID 50786557

IUPAC7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]nc(SCc2cccc(F)c2)n2nc(-c3cccs3)cc12
InChIInChI=1S/C16H11FN4OS2/c17-11-4-1-3-10(7-11)9-24-16-19-18-15(22)13-8-12(20-21(13)16)14-5-2-6-23-14/h1-8H,9H2,(H,18,22)
InChIKeyDLAZFULLYLNUFD-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.58
Rot. Bonds4

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

7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 50786557) has the molecular formula C16H11FN4OS2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID50786557
Molecular FormulaC16H11FN4OS2
Molecular Weight358.42 g/mol
Exact Mass358.04
IUPAC Name7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]nc(SCc2cccc(F)c2)n2nc(-c3cccs3)cc12
InChIInChI=1S/C16H11FN4OS2/c17-11-4-1-3-10(7-11)9-24-16-19-18-15(22)13-8-12(20-21(13)16)14-5-2-6-23-14/h1-8H,9H2,(H,18,22)
InChIKeyDLAZFULLYLNUFD-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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Related Compounds

7-[2-(dimethylamino)ethylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one;2,2,2-trifluoroacetic acid
CID 166266951
N-cyclopentyl-2-[(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 50771953
7-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 27373902
3-[(3-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 1491543
7-benzylsulfanyl-2-(4-ethoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50786576
2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetonitrile
CID 50786684
7-[(4-chlorophenyl)methylsulfanyl]-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 27373910
N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513250
4-[(4-fluorophenyl)methylsulfanyl]-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 67757424
3-[(3-fluorophenyl)methylsulfanyl]-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
CID 40689180
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 16676551
N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685863

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 50786557) is 7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1[nH]nc(SCc2cccc(F)c2)n2nc(-c3cccs3)cc12.
What is the InChIKey of 7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is DLAZFULLYLNUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4OS2/c17-11-4-1-3-10(7-11)9-24-16-19-18-15(22)13-8-12(20-21(13)16)14-5-2-6-23-14/h1-8H,9H2,(H,18,22).
What are the key properties of 7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
7-[(3-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-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 50786557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).