ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C9H8F3N5O2 — CID 1252117

IUPACethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(C(F)(F)F)nn2c1N
InChIInChI=1S/C9H8F3N5O2/c1-2-19-6(18)4-3-14-8-15-7(9(10,11)12)16-17(8)5(4)13/h3H,2,13H2,1H3
InChIKeyHGURVPKJNJVLLB-UHFFFAOYSA-N
MW275.19 g/mol
LogP0.90
Rot. Bonds2

About ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 1252117) has the molecular formula C9H8F3N5O2 and a molecular weight of 275.19 g/mol. Its IUPAC name is ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID1252117
Molecular FormulaC9H8F3N5O2
Molecular Weight275.19 g/mol
Exact Mass275.06
IUPAC Nameethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(C(F)(F)F)nn2c1N
InChIInChI=1S/C9H8F3N5O2/c1-2-19-6(18)4-3-14-8-15-7(9(10,11)12)16-17(8)5(4)13/h3H,2,13H2,1H3
InChIKeyHGURVPKJNJVLLB-UHFFFAOYSA-N
XLogP0.90
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 974047
Ethyl 7-amino-3-cyanopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 721647
Ethyl 7-amino-2-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylate
CID 1509622
Ethyl pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 7021267
Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10965659
7-Amino-2-(4-morpholinyl)(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 5172373
Ethyl 7-amino-2-morpholino[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 4594296
Ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 721646
ethyl 5-amino-1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazole-4-carboxylate
CID 2809000
3,6-Diethyl 7-aminopyrazolo(1,5-a)pyrimidine-3,6-dicarboxylate
CID 2816389
Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2774832
Ethyl 6-formylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 46779155

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 1252117) is ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2nc(C(F)(F)F)nn2c1N.
What is the InChIKey of ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is HGURVPKJNJVLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O2/c1-2-19-6(18)4-3-14-8-15-7(9(10,11)12)16-17(8)5(4)13/h3H,2,13H2,1H3.
What are the key properties of ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 275.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 1252117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).