3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

C15H20N4O2 — CID 117144994

About 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 117144994) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
• PubChem CID: 117144994
• Molecular Formula: C15H20N4O2
• Molecular Weight: 288.35 g/mol
• Exact Mass: 288.16
• IUPAC Name: 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
• SMILES: CC(C)N1CCC(Cc2nnc3cc(C(=O)O)ccn23)C1
• InChI: InChI=1S/C15H20N4O2/c1-10(2)18-5-3-11(9-18)7-13-16-17-14-8-12(15(20)21)4-6-19(13)14/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,20,21)
• InChIKey: UDBPHWUBMRMRRI-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 70.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.35
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?

The IUPAC name of 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 117144994) is 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

What is the SMILES notation for 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?

The canonical SMILES for 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is CC(C)N1CCC(Cc2nnc3cc(C(=O)O)ccn23)C1.

What is the InChIKey of 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?

The InChIKey is UDBPHWUBMRMRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)18-5-3-11(9-18)7-13-16-17-14-8-12(15(20)21)4-6-19(13)14/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,20,21).

What are the key properties of 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?

3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117144994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).