1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone

C11H10F3N5OS — CID 64578889

About 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone

1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone (PubChem CID 64578889) has the molecular formula C11H10F3N5OS and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone
• PubChem CID: 64578889
• Molecular Formula: C11H10F3N5OS
• Molecular Weight: 317.30 g/mol
• Exact Mass: 317.06
• IUPAC Name: 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone
• SMILES: CC(=O)c1csc(N2CCn3c(nnc3C(F)(F)F)C2)n1
• InChI: InChI=1S/C11H10F3N5OS/c1-6(20)7-5-21-10(15-7)18-2-3-19-8(4-18)16-17-9(19)11(12,13)14/h5H,2-4H2,1H3
• InChIKey: MEQFAYUATBDINZ-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 63.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.30
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone?

The IUPAC name of 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone (CID 64578889) is 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone.

What is the SMILES notation for 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone?

The canonical SMILES for 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(N2CCn3c(nnc3C(F)(F)F)C2)n1.

What is the InChIKey of 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone?

The InChIKey is MEQFAYUATBDINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5OS/c1-6(20)7-5-21-10(15-7)18-2-3-19-8(4-18)16-17-9(19)11(12,13)14/h5H,2-4H2,1H3.

What are the key properties of 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone?

1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 317.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64578889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).