1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid

C10H10N4O3 — CID 29082252

IUPAC1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCn2ccccc2=O)nn1
InChIInChI=1S/C10H10N4O3/c15-9-3-1-2-4-13(9)5-6-14-7-8(10(16)17)11-12-14/h1-4,7H,5-6H2,(H,16,17)
InChIKeyRUSPPJFZUSMUFW-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.16
Rot. Bonds4

About 1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid

1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid (PubChem CID 29082252) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid
PubChem CID29082252
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCn2ccccc2=O)nn1
InChIInChI=1S/C10H10N4O3/c15-9-3-1-2-4-13(9)5-6-14-7-8(10(16)17)11-12-14/h1-4,7H,5-6H2,(H,16,17)
InChIKeyRUSPPJFZUSMUFW-UHFFFAOYSA-N
XLogP-0.16
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid (CID 29082252) is 1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid is O=C(O)c1cn(CCn2ccccc2=O)nn1.
What is the InChIKey of 1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid?
The InChIKey is RUSPPJFZUSMUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c15-9-3-1-2-4-13(9)5-6-14-7-8(10(16)17)11-12-14/h1-4,7H,5-6H2,(H,16,17).
What are the key properties of 1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid?
1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 29082252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).