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

C10H7F3N4O2 — CID 28743126

IUPAC5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2nc(C(F)(F)F)nn12
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)8-15-9-14-5(4-1-2-4)3-6(7(18)19)17(9)16-8/h3-4H,1-2H2,(H,18,19)
InChIKeyHMPVOVQDAXSACF-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.72
Rot. Bonds2

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

5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 28743126) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID28743126
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Name5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2nc(C(F)(F)F)nn12
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)8-15-9-14-5(4-1-2-4)3-6(7(18)19)17(9)16-8/h3-4H,1-2H2,(H,18,19)
InChIKeyHMPVOVQDAXSACF-UHFFFAOYSA-N
XLogP1.72
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 28743126) is 5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(O)c1cc(C2CC2)nc2nc(C(F)(F)F)nn12.
What is the InChIKey of 5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is HMPVOVQDAXSACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c11-10(12,13)8-15-9-14-5(4-1-2-4)3-6(7(18)19)17(9)16-8/h3-4H,1-2H2,(H,18,19).
What are the key properties of 5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 272.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 28743126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).