3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C15H14N6O2 — CID 134069671

About 3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 134069671) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• PubChem CID: 134069671
• Molecular Formula: C15H14N6O2
• Molecular Weight: 310.32 g/mol
• Exact Mass: 310.12
• IUPAC Name: 3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• SMILES: O=C(O)c1ccc2nnc(C3CCN(c4ncccn4)C3)n2c1
• InChI: InChI=1S/C15H14N6O2/c22-14(23)11-2-3-12-18-19-13(21(12)9-11)10-4-7-20(8-10)15-16-5-1-6-17-15/h1-3,5-6,9-10H,4,7-8H2,(H,22,23)
• InChIKey: FYYJBFBQPAYOIX-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 96.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.32
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 134069671) is 3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

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

The canonical SMILES for 3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(C3CCN(c4ncccn4)C3)n2c1.

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

The InChIKey is FYYJBFBQPAYOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c22-14(23)11-2-3-12-18-19-13(21(12)9-11)10-4-7-20(8-10)15-16-5-1-6-17-15/h1-3,5-6,9-10H,4,7-8H2,(H,22,23).

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

3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 310.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 134069671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).