N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H13F3N4O2 — CID 18122095

About N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18122095) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 18122095
• Molecular Formula: C17H13F3N4O2
• Molecular Weight: 362.31 g/mol
• Exact Mass: 362.10
• IUPAC Name: N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1Cc2ccccc2O1
• InChI: InChI=1S/C17H13F3N4O2/c18-17(19,20)11-5-6-14-22-23-15(24(14)9-11)8-21-16(25)13-7-10-3-1-2-4-12(10)26-13/h1-6,9,13H,7-8H2,(H,21,25)
• InChIKey: YCHYVILCIUXKBV-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.31
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 18122095) is N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1Cc2ccccc2O1.

What is the InChIKey of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is YCHYVILCIUXKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)11-5-6-14-22-23-15(24(14)9-11)8-21-16(25)13-7-10-3-1-2-4-12(10)26-13/h1-6,9,13H,7-8H2,(H,21,25).

What are the key properties of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18122095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).