3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C14H17N3O3 — CID 63953397

IUPAC3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(CCC3CCCCO3)n2c1
InChIInChI=1S/C14H17N3O3/c18-14(19)10-4-6-12-15-16-13(17(12)9-10)7-5-11-3-1-2-8-20-11/h4,6,9,11H,1-3,5,7-8H2,(H,18,19)
InChIKeyUEVGSBWJYBOVBK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.93
Rot. Bonds4

About 3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 63953397) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID63953397
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(CCC3CCCCO3)n2c1
InChIInChI=1S/C14H17N3O3/c18-14(19)10-4-6-12-15-16-13(17(12)9-10)7-5-11-3-1-2-8-20-11/h4,6,9,11H,1-3,5,7-8H2,(H,18,19)
InChIKeyUEVGSBWJYBOVBK-UHFFFAOYSA-N
XLogP1.93
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140382
3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140261
1-[2-(oxan-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106003570
3-octyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 65427572
3-heptyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 55068173
3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257179
6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139205
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63014931
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid
CID 84614333
3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387458
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62390046

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 63953397) is 3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(CCC3CCCCO3)n2c1.
What is the InChIKey of 3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is UEVGSBWJYBOVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(19)10-4-6-12-15-16-13(17(12)9-10)7-5-11-3-1-2-8-20-11/h4,6,9,11H,1-3,5,7-8H2,(H,18,19).
What are the key properties of 3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 63953397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).