Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C10H9F3N4O2 — CID 3163560

IUPACethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(C(F)(F)F)nc2nc1C
InChIInChI=1S/C10H9F3N4O2/c1-3-19-7(18)6-4-17-9(14-5(6)2)15-8(16-17)10(11,12)13/h4H,3H2,1-2H3
InChIKeyCLLZYBXSQUTMPI-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.63
Rot. Bonds2

About Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 3163560) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound NameEthyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID3163560
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Nameethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(C(F)(F)F)nc2nc1C
InChIInChI=1S/C10H9F3N4O2/c1-3-19-7(18)6-4-17-9(14-5(6)2)15-8(16-17)10(11,12)13/h4H,3H2,1-2H3
InChIKeyCLLZYBXSQUTMPI-UHFFFAOYSA-N
XLogP1.63
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 3163560) is ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cn2nc(C(F)(F)F)nc2nc1C.
What is the InChIKey of Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is CLLZYBXSQUTMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-3-19-7(18)6-4-17-9(14-5(6)2)15-8(16-17)10(11,12)13/h4H,3H2,1-2H3.
What are the key properties of Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 274.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3163560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).