3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C13H16N4O3 — CID 117140382

IUPAC3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(CCN3CCOCC3)n2c1
InChIInChI=1S/C13H16N4O3/c18-13(19)10-1-2-11-14-15-12(17(11)9-10)3-4-16-5-7-20-8-6-16/h1-2,9H,3-8H2,(H,18,19)
InChIKeyJKOMZEXGVQICPT-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.30
Rot. Bonds4

About 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 117140382) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID117140382
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(CCN3CCOCC3)n2c1
InChIInChI=1S/C13H16N4O3/c18-13(19)10-1-2-11-14-15-12(17(11)9-10)3-4-16-5-7-20-8-6-16/h1-2,9H,3-8H2,(H,18,19)
InChIKeyJKOMZEXGVQICPT-UHFFFAOYSA-N
XLogP0.30
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784700
3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140261
3-bromo-4-(2-morpholin-4-ylethyl)benzoic acid
CID 70093082
3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139960
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389506
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62390046
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388791
3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257215
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140371
3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389874
3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117142384
4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine
CID 117142388

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 117140382) is 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(CCN3CCOCC3)n2c1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is JKOMZEXGVQICPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-13(19)10-1-2-11-14-15-12(17(11)9-10)3-4-16-5-7-20-8-6-16/h1-2,9H,3-8H2,(H,18,19).
What are the key properties of 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117140382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).