6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one

C11H6ClN3OS — CID 141223112

IUPAC6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one
SMILESO=c1[nH]nnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C11H6ClN3OS/c12-7-3-1-6(2-4-7)9-5-8-10(17-9)11(16)14-15-13-8/h1-5H,(H,13,14,16)
InChIKeyWLGSNYJPIXHNHQ-UHFFFAOYSA-N
MW263.71 g/mol
LogP2.70
Rot. Bonds1

About 6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one

6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one (PubChem CID 141223112) has the molecular formula C11H6ClN3OS and a molecular weight of 263.71 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one
PubChem CID141223112
Molecular FormulaC11H6ClN3OS
Molecular Weight263.71 g/mol
Exact Mass262.99
IUPAC Name6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one
SMILESO=c1[nH]nnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C11H6ClN3OS/c12-7-3-1-6(2-4-7)9-5-8-10(17-9)11(16)14-15-13-8/h1-5H,(H,13,14,16)
InChIKeyWLGSNYJPIXHNHQ-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one (CID 141223112) is 6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one is O=c1[nH]nnc2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one?
The InChIKey is WLGSNYJPIXHNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3OS/c12-7-3-1-6(2-4-7)9-5-8-10(17-9)11(16)14-15-13-8/h1-5H,(H,13,14,16).
What are the key properties of 6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one?
6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one has a molecular weight of 263.71 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one is sourced from PubChem (CID 141223112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).