1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid

C16H20N4O3 — CID 84614333

About 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid

1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid (PubChem CID 84614333) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid
• PubChem CID: 84614333
• Molecular Formula: C16H20N4O3
• Molecular Weight: 316.36 g/mol
• Exact Mass: 316.15
• IUPAC Name: 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid
• SMILES: CCCc1nnc2ccc(C(=O)N3CCCC(C(=O)O)C3)cn12
• InChI: InChI=1S/C16H20N4O3/c1-2-4-13-17-18-14-7-6-11(10-20(13)14)15(21)19-8-3-5-12(9-19)16(22)23/h6-7,10,12H,2-5,8-9H2,1H3,(H,22,23)
• InChIKey: UVJCDZZOUXPUON-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 87.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.36
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid?

The IUPAC name of 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid (CID 84614333) is 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid.

What is the SMILES notation for 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid?

The canonical SMILES for 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid is CCCc1nnc2ccc(C(=O)N3CCCC(C(=O)O)C3)cn12.

What is the InChIKey of 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid?

The InChIKey is UVJCDZZOUXPUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-4-13-17-18-14-7-6-11(10-20(13)14)15(21)19-8-3-5-12(9-19)16(22)23/h6-7,10,12H,2-5,8-9H2,1H3,(H,22,23).

What are the key properties of 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid?

1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 84614333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).