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

C11H12F3N5O — CID 4906205

IUPAC4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C11H12F3N5O/c1-7-6-8(18-2-4-20-5-3-18)19-10(15-7)16-9(17-19)11(12,13)14/h6H,2-5H2,1H3
InChIKeyHXCUSPPCPWGCBO-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.29
Rot. Bonds1

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

4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 4906205) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID4906205
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C11H12F3N5O/c1-7-6-8(18-2-4-20-5-3-18)19-10(15-7)16-9(17-19)11(12,13)14/h6H,2-5H2,1H3
InChIKeyHXCUSPPCPWGCBO-UHFFFAOYSA-N
XLogP1.29
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine 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 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 4906205) is 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cc(N2CCOCC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is HXCUSPPCPWGCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-7-6-8(18-2-4-20-5-3-18)19-10(15-7)16-9(17-19)11(12,13)14/h6H,2-5H2,1H3.
What are the key properties of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 287.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 4906205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).