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

C7H3F3N4O2 — CID 105490436

IUPAC2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1ccn2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C7H3F3N4O2/c8-7(9,10)5-12-6-11-3(4(15)16)1-2-14(6)13-5/h1-2H,(H,15,16)
InChIKeyVVHXTFKGTCHMBJ-UHFFFAOYSA-N
MW232.12 g/mol
LogP0.84
Rot. Bonds1

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

2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 105490436) has the molecular formula C7H3F3N4O2 and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID105490436
Molecular FormulaC7H3F3N4O2
Molecular Weight232.12 g/mol
Exact Mass232.02
IUPAC Name2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1ccn2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C7H3F3N4O2/c8-7(9,10)5-12-6-11-3(4(15)16)1-2-14(6)13-5/h1-2H,(H,15,16)
InChIKeyVVHXTFKGTCHMBJ-UHFFFAOYSA-N
XLogP0.84
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 105490436) is 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1ccn2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is VVHXTFKGTCHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4O2/c8-7(9,10)5-12-6-11-3(4(15)16)1-2-14(6)13-5/h1-2H,(H,15,16).
What are the key properties of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 232.12 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 105490436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).