6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide

C14H10F3N5O2 — CID 17483735

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

6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 17483735) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
• PubChem CID: 17483735
• Molecular Formula: C14H10F3N5O2
• Molecular Weight: 337.26 g/mol
• Exact Mass: 337.08
• IUPAC Name: 6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
• SMILES: O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(=O)[nH]c1
• InChI: InChI=1S/C14H10F3N5O2/c15-14(16,17)9-2-3-10-20-21-11(22(10)7-9)6-19-13(24)8-1-4-12(23)18-5-8/h1-5,7H,6H2,(H,18,23)(H,19,24)
• InChIKey: QSRFCLKONDFLAJ-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.26
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide (CID 17483735) is 6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide.

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

The canonical SMILES for 6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(=O)[nH]c1.

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

The InChIKey is QSRFCLKONDFLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c15-14(16,17)9-2-3-10-20-21-11(22(10)7-9)6-19-13(24)8-1-4-12(23)18-5-8/h1-5,7H,6H2,(H,18,23)(H,19,24).

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

6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 17483735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).