1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid

C11H8N6O4 — CID 62060082

IUPAC1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CC(=O)n2nc3ccccn3c2=O)nn1
InChIInChI=1S/C11H8N6O4/c18-9(6-15-5-7(10(19)20)12-14-15)17-11(21)16-4-2-1-3-8(16)13-17/h1-5H,6H2,(H,19,20)
InChIKeyKOBWDDCGOGDENU-UHFFFAOYSA-N
MW288.22 g/mol
LogP-0.87
Rot. Bonds3

About 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid

1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 62060082) has the molecular formula C11H8N6O4 and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
PubChem CID62060082
Molecular FormulaC11H8N6O4
Molecular Weight288.22 g/mol
Exact Mass288.06
IUPAC Name1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CC(=O)n2nc3ccccn3c2=O)nn1
InChIInChI=1S/C11H8N6O4/c18-9(6-15-5-7(10(19)20)12-14-15)17-11(21)16-4-2-1-3-8(16)13-17/h1-5H,6H2,(H,19,20)
InChIKeyKOBWDDCGOGDENU-UHFFFAOYSA-N
XLogP-0.87
TPSA124.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid with MolForge

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Related Compounds

1-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethyl]triazole-4-carboxylic acid
CID 177726654
1-[2-(2-Oxo-1-pyridinyl)ethyl]triazole-4-carboxylic acid
CID 29082252
1-[2-(2,4-Dioxopyrimidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 29082488
1-[2-(3-Oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
CID 43151017
1-[2-(6-Oxopyridazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 55126729
1-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid
CID 62059425
1-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)methyl]triazole-4-carboxylic acid
CID 62061223
2-[2-[4-(Hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62401862
1-[2-(3-Oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
CID 62937333
1-[2-(2,6-Dioxo-3-propylpyrimidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 63798940
1-[2-(3-Ethyl-2,6-dioxopyrimidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 63799797
1-[2-(3-Methyl-2,6-dioxopyrimidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 63800488

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid (CID 62060082) is 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid is O=C(O)c1cn(CC(=O)n2nc3ccccn3c2=O)nn1.
What is the InChIKey of 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is KOBWDDCGOGDENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O4/c18-9(6-15-5-7(10(19)20)12-14-15)17-11(21)16-4-2-1-3-8(16)13-17/h1-5H,6H2,(H,19,20).
What are the key properties of 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 288.22 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62060082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).