6-thiophen-2-yl-1H-1,3,5-triazin-2-one

C7H5N3OS — CID 138461120

IUPAC6-thiophen-2-yl-1H-1,3,5-triazin-2-one
SMILESO=c1ncnc(-c2cccs2)[nH]1
InChIInChI=1S/C7H5N3OS/c11-7-9-4-8-6(10-7)5-2-1-3-12-5/h1-4H,(H,8,9,10,11)
InChIKeyURBFEYMIYXKFEM-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.89
Rot. Bonds1

About 6-thiophen-2-yl-1H-1,3,5-triazin-2-one

6-thiophen-2-yl-1H-1,3,5-triazin-2-one (PubChem CID 138461120) has the molecular formula C7H5N3OS and a molecular weight of 179.20 g/mol. Its IUPAC name is 6-thiophen-2-yl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-thiophen-2-yl-1H-1,3,5-triazin-2-one
PubChem CID138461120
Molecular FormulaC7H5N3OS
Molecular Weight179.20 g/mol
Exact Mass179.02
IUPAC Name6-thiophen-2-yl-1H-1,3,5-triazin-2-one
SMILESO=c1ncnc(-c2cccs2)[nH]1
InChIInChI=1S/C7H5N3OS/c11-7-9-4-8-6(10-7)5-2-1-3-12-5/h1-4H,(H,8,9,10,11)
InChIKeyURBFEYMIYXKFEM-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-thiophen-2-yl-1H-1,3,5-triazin-2-one (CID 138461120) is 6-thiophen-2-yl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-thiophen-2-yl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-thiophen-2-yl-1H-1,3,5-triazin-2-one is O=c1ncnc(-c2cccs2)[nH]1.
What is the InChIKey of 6-thiophen-2-yl-1H-1,3,5-triazin-2-one?
The InChIKey is URBFEYMIYXKFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3OS/c11-7-9-4-8-6(10-7)5-2-1-3-12-5/h1-4H,(H,8,9,10,11).
What are the key properties of 6-thiophen-2-yl-1H-1,3,5-triazin-2-one?
6-thiophen-2-yl-1H-1,3,5-triazin-2-one has a molecular weight of 179.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 138461120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).