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

C14H18N4O2 — CID 117145011

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

3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 117145011) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
• PubChem CID: 117145011
• Molecular Formula: C14H18N4O2
• Molecular Weight: 274.32 g/mol
• Exact Mass: 274.14
• IUPAC Name: 3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
• SMILES: CN1CCC(Cc2nnc3cc(C(=O)O)ccn23)CC1
• InChI: InChI=1S/C14H18N4O2/c1-17-5-2-10(3-6-17)8-12-15-16-13-9-11(14(19)20)4-7-18(12)13/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,19,20)
• InChIKey: XCDJMJIIVJLAFC-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 70.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.32
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 117145011) is 3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

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

The canonical SMILES for 3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is CN1CCC(Cc2nnc3cc(C(=O)O)ccn23)CC1.

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

The InChIKey is XCDJMJIIVJLAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-5-2-10(3-6-17)8-12-15-16-13-9-11(14(19)20)4-7-18(12)13/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,19,20).

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

3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117145011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).