7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C11H11N5O2S — CID 133487311

About 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133487311) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 133487311
• Molecular Formula: C11H11N5O2S
• Molecular Weight: 277.31 g/mol
• Exact Mass: 277.06
• IUPAC Name: 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: CCc1cc(=O)n2nc(Oc3cnn(C)c3)sc2n1
• InChI: InChI=1S/C11H11N5O2S/c1-3-7-4-9(17)16-10(13-7)19-11(14-16)18-8-5-12-15(2)6-8/h4-6H,3H2,1-2H3
• InChIKey: HJSCHMAOYOBZGK-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 74.31 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.31
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133487311) is 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(Oc3cnn(C)c3)sc2n1.

What is the InChIKey of 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is HJSCHMAOYOBZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-3-7-4-9(17)16-10(13-7)19-11(14-16)18-8-5-12-15(2)6-8/h4-6H,3H2,1-2H3.

What are the key properties of 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 277.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133487311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).