5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

C12H7FN4O2 — CID 25247792

IUPAC5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)nc2ncnn12
InChIInChI=1S/C12H7FN4O2/c13-8-3-1-7(2-4-8)9-5-10(11(18)19)17-12(16-9)14-6-15-17/h1-6H,(H,18,19)
InChIKeyGMLJATHLEWYGQT-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.63
Rot. Bonds2

About 5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 25247792) has the molecular formula C12H7FN4O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID25247792
Molecular FormulaC12H7FN4O2
Molecular Weight258.21 g/mol
Exact Mass258.06
IUPAC Name5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)nc2ncnn12
InChIInChI=1S/C12H7FN4O2/c13-8-3-1-7(2-4-8)9-5-10(11(18)19)17-12(16-9)14-6-15-17/h1-6H,(H,18,19)
InChIKeyGMLJATHLEWYGQT-UHFFFAOYSA-N
XLogP1.63
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 25247792) is 5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2)nc2ncnn12.
What is the InChIKey of 5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is GMLJATHLEWYGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2/c13-8-3-1-7(2-4-8)9-5-10(11(18)19)17-12(16-9)14-6-15-17/h1-6H,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 258.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 25247792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).