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

C13H16N4O2 — CID 117144958

IUPAC3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESCN1CCC(c2nnc3cc(C(=O)O)ccn23)CC1
InChIInChI=1S/C13H16N4O2/c1-16-5-2-9(3-6-16)12-15-14-11-8-10(13(18)19)4-7-17(11)12/h4,7-9H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyAKJRQBDSRIOPKQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.24
Rot. Bonds2

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

3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 117144958) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
PubChem CID117144958
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESCN1CCC(c2nnc3cc(C(=O)O)ccn23)CC1
InChIInChI=1S/C13H16N4O2/c1-16-5-2-9(3-6-16)12-15-14-11-8-10(13(18)19)4-7-17(11)12/h4,7-9H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyAKJRQBDSRIOPKQ-UHFFFAOYSA-N
XLogP1.24
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83640668
3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145011
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
CID 83886634
3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145049
1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 167832577
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83641424
3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 53393311
[3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143204
6-methyl-3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138815
3-ethanethioyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 134420827
3-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145002

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 117144958) is 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is CN1CCC(c2nnc3cc(C(=O)O)ccn23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The InChIKey is AKJRQBDSRIOPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16-5-2-9(3-6-16)12-15-14-11-8-10(13(18)19)4-7-17(11)12/h4,7-9H,2-3,5-6H2,1H3,(H,18,19).
What are the key properties of 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.24, 2 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)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117144958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).