3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C16H13N3O2 — CID 106894162

About 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 106894162) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• PubChem CID: 106894162
• Molecular Formula: C16H13N3O2
• Molecular Weight: 279.30 g/mol
• Exact Mass: 279.10
• IUPAC Name: 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• SMILES: O=C(O)c1ccc2nnc(C3Cc4ccccc4C3)n2c1
• InChI: InChI=1S/C16H13N3O2/c20-16(21)12-5-6-14-17-18-15(19(14)9-12)13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,20,21)
• InChIKey: ZOJIEQXKEUBZNB-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 67.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.30
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 106894162) is 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(C3Cc4ccccc4C3)n2c1.

What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

The InChIKey is ZOJIEQXKEUBZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(21)12-5-6-14-17-18-15(19(14)9-12)13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,20,21).

What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 106894162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).