3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

C12H8FN3OS — CID 21178839

IUPAC3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1nn2c(-c3ccc(F)cc3)csc2nc1=O
InChIInChI=1S/C12H8FN3OS/c1-7-11(17)14-12-16(15-7)10(6-18-12)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyQLUJLANUSDFASW-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.27
Rot. Bonds1

About 3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 21178839) has the molecular formula C12H8FN3OS and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID21178839
Molecular FormulaC12H8FN3OS
Molecular Weight261.28 g/mol
Exact Mass261.04
IUPAC Name3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1nn2c(-c3ccc(F)cc3)csc2nc1=O
InChIInChI=1S/C12H8FN3OS/c1-7-11(17)14-12-16(15-7)10(6-18-12)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyQLUJLANUSDFASW-UHFFFAOYSA-N
XLogP2.27
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 21178839) is 3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is Cc1nn2c(-c3ccc(F)cc3)csc2nc1=O.
What is the InChIKey of 3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is QLUJLANUSDFASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS/c1-7-11(17)14-12-16(15-7)10(6-18-12)8-2-4-9(13)5-3-8/h2-6H,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 261.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 21178839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).