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

C7H5N3OS — CID 141174792

IUPAC5-thiophen-2-yl-1H-triazin-6-one
SMILESO=c1[nH]nncc1-c1cccs1
InChIInChI=1S/C7H5N3OS/c11-7-5(4-8-10-9-7)6-2-1-3-12-6/h1-4H,(H,8,9,11)
InChIKeyVNHUJUJLLSOWCO-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.89
Rot. Bonds1

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

5-thiophen-2-yl-1H-triazin-6-one (PubChem CID 141174792) has the molecular formula C7H5N3OS and a molecular weight of 179.20 g/mol. Its IUPAC name is 5-thiophen-2-yl-1H-triazin-6-one.

Molecular Properties

Compound Name5-thiophen-2-yl-1H-triazin-6-one
PubChem CID141174792
Molecular FormulaC7H5N3OS
Molecular Weight179.20 g/mol
Exact Mass179.02
IUPAC Name5-thiophen-2-yl-1H-triazin-6-one
SMILESO=c1[nH]nncc1-c1cccs1
InChIInChI=1S/C7H5N3OS/c11-7-5(4-8-10-9-7)6-2-1-3-12-6/h1-4H,(H,8,9,11)
InChIKeyVNHUJUJLLSOWCO-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 5-thiophen-2-yl-1H-triazin-6-one?
The IUPAC name of 5-thiophen-2-yl-1H-triazin-6-one (CID 141174792) is 5-thiophen-2-yl-1H-triazin-6-one.
What is the SMILES notation for 5-thiophen-2-yl-1H-triazin-6-one?
The canonical SMILES for 5-thiophen-2-yl-1H-triazin-6-one is O=c1[nH]nncc1-c1cccs1.
What is the InChIKey of 5-thiophen-2-yl-1H-triazin-6-one?
The InChIKey is VNHUJUJLLSOWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3OS/c11-7-5(4-8-10-9-7)6-2-1-3-12-6/h1-4H,(H,8,9,11).
What are the key properties of 5-thiophen-2-yl-1H-triazin-6-one?
5-thiophen-2-yl-1H-triazin-6-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 5-thiophen-2-yl-1H-triazin-6-one is sourced from PubChem (CID 141174792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).