5-(triazol-1-yl)pyridine-3-carboxylic acid

C8H6N4O2 — CID 84662425

IUPAC5-(triazol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-n2ccnn2)c1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-3-7(5-9-4-6)12-2-1-10-11-12/h1-5H,(H,13,14)
InChIKeyTUPDNQMQMIOGHD-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.36
Rot. Bonds2

About 5-(triazol-1-yl)pyridine-3-carboxylic acid

5-(triazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 84662425) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 5-(triazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(triazol-1-yl)pyridine-3-carboxylic acid
PubChem CID84662425
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name5-(triazol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-n2ccnn2)c1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-3-7(5-9-4-6)12-2-1-10-11-12/h1-5H,(H,13,14)
InChIKeyTUPDNQMQMIOGHD-UHFFFAOYSA-N
XLogP0.36
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(triazol-1-yl)pyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 5-(triazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(triazol-1-yl)pyridine-3-carboxylic acid (CID 84662425) is 5-(triazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(triazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(triazol-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(-n2ccnn2)c1.
What is the InChIKey of 5-(triazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is TUPDNQMQMIOGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-8(14)6-3-7(5-9-4-6)12-2-1-10-11-12/h1-5H,(H,13,14).
What are the key properties of 5-(triazol-1-yl)pyridine-3-carboxylic acid?
5-(triazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(triazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 84662425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).