3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C11H14N4O2 — CID 117147796

IUPAC3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCN(C)CCc1nnc2c(C(=O)O)cccn12
InChIInChI=1S/C11H14N4O2/c1-14(2)7-5-9-12-13-10-8(11(16)17)4-3-6-15(9)10/h3-4,6H,5,7H2,1-2H3,(H,16,17)
InChIKeyTVCTZNYWQPQCAD-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.53
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 117147796) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID117147796
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCN(C)CCc1nnc2c(C(=O)O)cccn12
InChIInChI=1S/C11H14N4O2/c1-14(2)7-5-9-12-13-10-8(11(16)17)4-3-6-15(9)10/h3-4,6H,5,7H2,1-2H3,(H,16,17)
InChIKeyTVCTZNYWQPQCAD-UHFFFAOYSA-N
XLogP0.53
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147323
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058944
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147696
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147677
3-[(cyclobutylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117257439
N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 84614507
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074688
3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 28814025
3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147652
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid
CID 84614425

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 117147796) is 3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is CN(C)CCc1nnc2c(C(=O)O)cccn12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is TVCTZNYWQPQCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14(2)7-5-9-12-13-10-8(11(16)17)4-3-6-15(9)10/h3-4,6H,5,7H2,1-2H3,(H,16,17).
What are the key properties of 3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117147796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).