3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid

C10H9N5O3 — CID 104740211

IUPAC3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cn1ccnn1)Nc1cccnc1C(=O)O
InChIInChI=1S/C10H9N5O3/c16-8(6-15-5-4-12-14-15)13-7-2-1-3-11-9(7)10(17)18/h1-5H,6H2,(H,13,16)(H,17,18)
InChIKeyHVHLDSDJLMNYPE-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.01
Rot. Bonds4

About 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid

3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 104740211) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID104740211
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cn1ccnn1)Nc1cccnc1C(=O)O
InChIInChI=1S/C10H9N5O3/c16-8(6-15-5-4-12-14-15)13-7-2-1-3-11-9(7)10(17)18/h1-5H,6H2,(H,13,16)(H,17,18)
InChIKeyHVHLDSDJLMNYPE-UHFFFAOYSA-N
XLogP0.01
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[[2-(triazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 107272393
3-fluoro-4-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291663
N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
CID 103097798
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740437
3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 115348197
3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-(decanoylamino)pyridine-2-carboxylic acid
CID 104740091
3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid
CID 104739616
2-methyl-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291668
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740347
3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739842

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid (CID 104740211) is 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid is O=C(Cn1ccnn1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is HVHLDSDJLMNYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c16-8(6-15-5-4-12-14-15)13-7-2-1-3-11-9(7)10(17)18/h1-5H,6H2,(H,13,16)(H,17,18).
What are the key properties of 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).