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

C15H14F3N5OS — CID 133363756

IUPAC4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine
SMILESCc1cc(N2CCOC(c3cccs3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H14F3N5OS/c1-9-7-12(23-14(19-9)20-13(21-23)15(16,17)18)22-4-5-24-10(8-22)11-3-2-6-25-11/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyJDXQFLMQCXFTFO-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.09
Rot. Bonds2

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

4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine (PubChem CID 133363756) has the molecular formula C15H14F3N5OS and a molecular weight of 369.37 g/mol. Its IUPAC name is 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine
PubChem CID133363756
Molecular FormulaC15H14F3N5OS
Molecular Weight369.37 g/mol
Exact Mass369.09
IUPAC Name4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine
SMILESCc1cc(N2CCOC(c3cccs3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H14F3N5OS/c1-9-7-12(23-14(19-9)20-13(21-23)15(16,17)18)22-4-5-24-10(8-22)11-3-2-6-25-11/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyJDXQFLMQCXFTFO-UHFFFAOYSA-N
XLogP3.09
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine (CID 133363756) is 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine is Cc1cc(N2CCOC(c3cccs3)C2)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]-2-thiophen-2-ylmorpholine?
The InChIKey is JDXQFLMQCXFTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5OS/c1-9-7-12(23-14(19-9)20-13(21-23)15(16,17)18)22-4-5-24-10(8-22)11-3-2-6-25-11/h2-3,6-7,10H,4-5,8H2,1H3.
What are the key properties of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine?
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine has a molecular weight of 369.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 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]-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).