7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one

C10H5FN4OS — CID 135745139

IUPAC7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one
SMILESO=c1[nH]nnc2c(-c3cccc(F)c3)nsc12
InChIInChI=1S/C10H5FN4OS/c11-6-3-1-2-5(4-6)7-8-9(17-14-7)10(16)13-15-12-8/h1-4H,(H,12,13,16)
InChIKeyCYAXCVSCYDNEDI-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.58
Rot. Bonds1

About 7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one

7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one (PubChem CID 135745139) has the molecular formula C10H5FN4OS and a molecular weight of 248.24 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one
PubChem CID135745139
Molecular FormulaC10H5FN4OS
Molecular Weight248.24 g/mol
Exact Mass248.02
IUPAC Name7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one
SMILESO=c1[nH]nnc2c(-c3cccc(F)c3)nsc12
InChIInChI=1S/C10H5FN4OS/c11-6-3-1-2-5(4-6)7-8-9(17-14-7)10(16)13-15-12-8/h1-4H,(H,12,13,16)
InChIKeyCYAXCVSCYDNEDI-UHFFFAOYSA-N
XLogP1.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
The IUPAC name of 7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one (CID 135745139) is 7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one.
What is the SMILES notation for 7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
The canonical SMILES for 7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one is O=c1[nH]nnc2c(-c3cccc(F)c3)nsc12.
What is the InChIKey of 7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
The InChIKey is CYAXCVSCYDNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN4OS/c11-6-3-1-2-5(4-6)7-8-9(17-14-7)10(16)13-15-12-8/h1-4H,(H,12,13,16).
What are the key properties of 7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one has a molecular weight of 248.24 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one is sourced from PubChem (CID 135745139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).