2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid

C8H6N4O2 — CID 25323860

IUPAC2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-n1cncn1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-2-1-3-10-7(6)12-5-9-4-11-12/h1-5H,(H,13,14)
InChIKeyJVRBJJCNDSCZJV-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.36
Rot. Bonds2

About 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid

2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 25323860) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid
PubChem CID25323860
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-n1cncn1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-2-1-3-10-7(6)12-5-9-4-11-12/h1-5H,(H,13,14)
InChIKeyJVRBJJCNDSCZJV-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid (CID 25323860) is 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1-n1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is JVRBJJCNDSCZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-8(14)6-2-1-3-10-7(6)12-5-9-4-11-12/h1-5H,(H,13,14).
What are the key properties of 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid?
2-(1,2,4-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 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 25323860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).