6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid

C13H9FN4O3 — CID 165401406

IUPAC6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCOc1cc(-c2cn3nc(C(=O)O)nc3cn2)ccc1F
InChIInChI=1S/C13H9FN4O3/c1-21-10-4-7(2-3-8(10)14)9-6-18-11(5-15-9)16-12(17-18)13(19)20/h2-6H,1H3,(H,19,20)
InChIKeyRYSRKLCLJKAEHI-UHFFFAOYSA-N
MW288.24 g/mol
LogP1.64
Rot. Bonds3

About 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid

6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 165401406) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID165401406
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC Name6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCOc1cc(-c2cn3nc(C(=O)O)nc3cn2)ccc1F
InChIInChI=1S/C13H9FN4O3/c1-21-10-4-7(2-3-8(10)14)9-6-18-11(5-15-9)16-12(17-18)13(19)20/h2-6H,1H3,(H,19,20)
InChIKeyRYSRKLCLJKAEHI-UHFFFAOYSA-N
XLogP1.64
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-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

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid (CID 165401406) is 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid is COc1cc(-c2cn3nc(C(=O)O)nc3cn2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is RYSRKLCLJKAEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c1-21-10-4-7(2-3-8(10)14)9-6-18-11(5-15-9)16-12(17-18)13(19)20/h2-6H,1H3,(H,19,20).
What are the key properties of 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid?
6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 288.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 165401406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).