2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

C13H16N4O2 — CID 117129871

About 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117129871) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
• PubChem CID: 117129871
• Molecular Formula: C13H16N4O2
• Molecular Weight: 260.30 g/mol
• Exact Mass: 260.13
• IUPAC Name: 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
• SMILES: CN1CCCC1Cc1nc2ccc(C(=O)O)cn2n1
• InChI: InChI=1S/C13H16N4O2/c1-16-6-2-3-10(16)7-11-14-12-5-4-9(13(18)19)8-17(12)15-11/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)
• InChIKey: XRVVBVPHAOBBNX-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 70.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.30
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?

The IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (CID 117129871) is 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

What is the SMILES notation for 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?

The canonical SMILES for 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is CN1CCCC1Cc1nc2ccc(C(=O)O)cn2n1.

What is the InChIKey of 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?

The InChIKey is XRVVBVPHAOBBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16-6-2-3-10(16)7-11-14-12-5-4-9(13(18)19)8-17(12)15-11/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19).

What are the key properties of 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?

2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117129871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).