7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one

C12H9FN4OS — CID 10778830

IUPAC7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
SMILESCc1nnc2n(c1=O)N=C(c1ccc(F)cc1)CS2
InChIInChI=1S/C12H9FN4OS/c1-7-11(18)17-12(15-14-7)19-6-10(16-17)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKeyABJDLTKXQWMWGR-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.44
Rot. Bonds1

About 7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one

7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one (PubChem CID 10778830) has the molecular formula C12H9FN4OS and a molecular weight of 276.30 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
PubChem CID10778830
Molecular FormulaC12H9FN4OS
Molecular Weight276.30 g/mol
Exact Mass276.05
IUPAC Name7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
SMILESCc1nnc2n(c1=O)N=C(c1ccc(F)cc1)CS2
InChIInChI=1S/C12H9FN4OS/c1-7-11(18)17-12(15-14-7)19-6-10(16-17)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKeyABJDLTKXQWMWGR-UHFFFAOYSA-N
XLogP1.44
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one (CID 10778830) is 7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one is Cc1nnc2n(c1=O)N=C(c1ccc(F)cc1)CS2.
What is the InChIKey of 7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one?
The InChIKey is ABJDLTKXQWMWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4OS/c1-7-11(18)17-12(15-14-7)19-6-10(16-17)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one?
7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one has a molecular weight of 276.30 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one is sourced from PubChem (CID 10778830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).