6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid

C15H19N5O2 — CID 122049318

About 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid

6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid (PubChem CID 122049318) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid
• PubChem CID: 122049318
• Molecular Formula: C15H19N5O2
• Molecular Weight: 301.35 g/mol
• Exact Mass: 301.15
• IUPAC Name: 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid
• SMILES: O=C(O)c1cccc(NCCCc2nnc3n2CCCC3)n1
• InChI: InChI=1S/C15H19N5O2/c21-15(22)11-5-3-6-12(17-11)16-9-4-8-14-19-18-13-7-1-2-10-20(13)14/h3,5-6H,1-2,4,7-10H2,(H,16,17)(H,21,22)
• InChIKey: WCQWDNWLHBGKNM-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 92.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.35
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid?

The IUPAC name of 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid (CID 122049318) is 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCCCc2nnc3n2CCCC3)n1.

What is the InChIKey of 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid?

The InChIKey is WCQWDNWLHBGKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(22)11-5-3-6-12(17-11)16-9-4-8-14-19-18-13-7-1-2-10-20(13)14/h3,5-6H,1-2,4,7-10H2,(H,16,17)(H,21,22).

What are the key properties of 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid?

6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122049318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).