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

C7H4F2N4O2 — CID 104866687

IUPAC7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2nccc(C(F)F)n2n1
InChIInChI=1S/C7H4F2N4O2/c8-4(9)3-1-2-10-7-11-5(6(14)15)12-13(3)7/h1-2,4H,(H,14,15)
InChIKeyUXQSPBWEJHHRHX-UHFFFAOYSA-N
MW214.13 g/mol
LogP0.76
Rot. Bonds2

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

7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 104866687) has the molecular formula C7H4F2N4O2 and a molecular weight of 214.13 g/mol. Its IUPAC name is 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID104866687
Molecular FormulaC7H4F2N4O2
Molecular Weight214.13 g/mol
Exact Mass214.03
IUPAC Name7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2nccc(C(F)F)n2n1
InChIInChI=1S/C7H4F2N4O2/c8-4(9)3-1-2-10-7-11-5(6(14)15)12-13(3)7/h1-2,4H,(H,14,15)
InChIKeyUXQSPBWEJHHRHX-UHFFFAOYSA-N
XLogP0.76
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 104866687) is 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1nc2nccc(C(F)F)n2n1.
What is the InChIKey of 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is UXQSPBWEJHHRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N4O2/c8-4(9)3-1-2-10-7-11-5(6(14)15)12-13(3)7/h1-2,4H,(H,14,15).
What are the key properties of 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 214.13 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 104866687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).