2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid

C11H13N3O2 — CID 83888641

IUPAC2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid
SMILESCCc1nnc2c(C(C)C(=O)O)cccn12
InChIInChI=1S/C11H13N3O2/c1-3-9-12-13-10-8(7(2)11(15)16)5-4-6-14(9)10/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyXYIMYXNHWQCSHX-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.48
Rot. Bonds3

About 2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid

2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid (PubChem CID 83888641) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid
PubChem CID83888641
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid
SMILESCCc1nnc2c(C(C)C(=O)O)cccn12
InChIInChI=1S/C11H13N3O2/c1-3-9-12-13-10-8(7(2)11(15)16)5-4-6-14(9)10/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyXYIMYXNHWQCSHX-UHFFFAOYSA-N
XLogP1.48
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-1-amine
CID 83882085
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83877169
2-pyrazolo[1,5-a]pyridin-4-ylpropanoic acid
CID 83877395
2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanimidamide
CID 83881576
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
3-ethyl-N-[(2S)-2-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 167877177
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147796
2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 83883604
3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252398
3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 51042803
8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117257397

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid?
The IUPAC name of 2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid (CID 83888641) is 2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid.
What is the SMILES notation for 2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid?
The canonical SMILES for 2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid is CCc1nnc2c(C(C)C(=O)O)cccn12.
What is the InChIKey of 2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid?
The InChIKey is XYIMYXNHWQCSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-9-12-13-10-8(7(2)11(15)16)5-4-6-14(9)10/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid?
2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid is sourced from PubChem (CID 83888641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).