ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate

C15H18F3N5O2 — CID 35417066

IUPACethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C15H18F3N5O2/c1-3-25-12(24)10-4-6-22(7-5-10)11-8-9(2)19-14-20-13(15(16,17)18)21-23(11)14/h8,10H,3-7H2,1-2H3
InChIKeyUHTRWZIDIYRANZ-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.23
Rot. Bonds3

About ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate

ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate (PubChem CID 35417066) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
PubChem CID35417066
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Nameethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C15H18F3N5O2/c1-3-25-12(24)10-4-6-22(7-5-10)11-8-9(2)19-14-20-13(15(16,17)18)21-23(11)14/h8,10H,3-7H2,1-2H3
InChIKeyUHTRWZIDIYRANZ-UHFFFAOYSA-N
XLogP2.23
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate (CID 35417066) is ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1.
What is the InChIKey of ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
The InChIKey is UHTRWZIDIYRANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-3-25-12(24)10-4-6-22(7-5-10)11-8-9(2)19-14-20-13(15(16,17)18)21-23(11)14/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate has a molecular weight of 357.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate is sourced from PubChem (CID 35417066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).