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

C17H15F3N4O3 — CID 91956743

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

(4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 91956743) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is (4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 91956743
• Molecular Formula: C17H15F3N4O3
• Molecular Weight: 380.33 g/mol
• Exact Mass: 380.11
• IUPAC Name: (4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: CCOc1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc2occc12
• InChI: InChI=1S/C17H15F3N4O3/c1-2-26-12-7-10(8-13-11(12)3-6-27-13)15(25)23-4-5-24-14(9-23)21-22-16(24)17(18,19)20/h3,6-8H,2,4-5,9H2,1H3
• InChIKey: GWYWQEBQDPGGMB-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 73.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.33
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 91956743) is (4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for (4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CCOc1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc2occc12.

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

The InChIKey is GWYWQEBQDPGGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-2-26-12-7-10(8-13-11(12)3-6-27-13)15(25)23-4-5-24-14(9-23)21-22-16(24)17(18,19)20/h3,6-8H,2,4-5,9H2,1H3.

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

(4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 380.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 91956743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).