2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C9H8N4O3 — CID 110455263

IUPAC2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCC(=O)Nc1nc2cccc(C(=O)O)n2n1
InChIInChI=1S/C9H8N4O3/c1-5(14)10-9-11-7-4-2-3-6(8(15)16)13(7)12-9/h2-4H,1H3,(H,15,16)(H,10,12,14)
InChIKeyACGRTFSXYMJFFW-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.39
Rot. Bonds2

About 2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 110455263) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID110455263
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCC(=O)Nc1nc2cccc(C(=O)O)n2n1
InChIInChI=1S/C9H8N4O3/c1-5(14)10-9-11-7-4-2-3-6(8(15)16)13(7)12-9/h2-4H,1H3,(H,15,16)(H,10,12,14)
InChIKeyACGRTFSXYMJFFW-UHFFFAOYSA-N
XLogP0.39
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 110455263) is 2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is CC(=O)Nc1nc2cccc(C(=O)O)n2n1.
What is the InChIKey of 2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is ACGRTFSXYMJFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-5(14)10-9-11-7-4-2-3-6(8(15)16)13(7)12-9/h2-4H,1H3,(H,15,16)(H,10,12,14).
What are the key properties of 2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 220.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 110455263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).