2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

C13H16N4O2 — CID 117130151

IUPAC2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(CC3CCCNC3)nn2c1
InChIInChI=1S/C13H16N4O2/c18-13(19)10-3-4-12-15-11(16-17(12)8-10)6-9-2-1-5-14-7-9/h3-4,8-9,14H,1-2,5-7H2,(H,18,19)
InChIKeyBVRYSFRJNDNOQN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.97
Rot. Bonds3

About 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117130151) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117130151
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(CC3CCCNC3)nn2c1
InChIInChI=1S/C13H16N4O2/c18-13(19)10-3-4-12-15-11(16-17(12)8-10)6-9-2-1-5-14-7-9/h3-4,8-9,14H,1-2,5-7H2,(H,18,19)
InChIKeyBVRYSFRJNDNOQN-UHFFFAOYSA-N
XLogP0.97
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130107
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130058
methyl 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129158
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129285
2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117257824
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117132321
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136994
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081751
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129873
2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117257810
methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140275

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (CID 117130151) is 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nc(CC3CCCNC3)nn2c1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is BVRYSFRJNDNOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(19)10-3-4-12-15-11(16-17(12)8-10)6-9-2-1-5-14-7-9/h3-4,8-9,14H,1-2,5-7H2,(H,18,19).
What are the key properties of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117130151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).