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

C10H9F3N4O2 — CID 28743122

IUPAC5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C10H9F3N4O2/c1-4(2)5-3-6(7(18)19)17-9(14-5)15-8(16-17)10(11,12)13/h3-4H,1-2H3,(H,18,19)
InChIKeyBVKBZDPYXJMTAZ-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.96
Rot. Bonds2

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

5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 28743122) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is 5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID28743122
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C10H9F3N4O2/c1-4(2)5-3-6(7(18)19)17-9(14-5)15-8(16-17)10(11,12)13/h3-4H,1-2H3,(H,18,19)
InChIKeyBVKBZDPYXJMTAZ-UHFFFAOYSA-N
XLogP1.96
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 28743122) is 5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is CC(C)c1cc(C(=O)O)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is BVKBZDPYXJMTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-4(2)5-3-6(7(18)19)17-9(14-5)15-8(16-17)10(11,12)13/h3-4H,1-2H3,(H,18,19).
What are the key properties of 5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 274.20 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 28743122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).