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

C14H12F3N5OS — CID 133363601

IUPAC2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOC(c3cccs3)C2)n2ncnc2n1
InChIInChI=1S/C14H12F3N5OS/c15-14(16,17)11-6-12(22-13(20-11)18-8-19-22)21-3-4-23-9(7-21)10-2-1-5-24-10/h1-2,5-6,8-9H,3-4,7H2
InChIKeyCHWVHGOKBJXDCK-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.78
Rot. Bonds2

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

2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 133363601) has the molecular formula C14H12F3N5OS and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID133363601
Molecular FormulaC14H12F3N5OS
Molecular Weight355.35 g/mol
Exact Mass355.07
IUPAC Name2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOC(c3cccs3)C2)n2ncnc2n1
InChIInChI=1S/C14H12F3N5OS/c15-14(16,17)11-6-12(22-13(20-11)18-8-19-22)21-3-4-23-9(7-21)10-2-1-5-24-10/h1-2,5-6,8-9H,3-4,7H2
InChIKeyCHWVHGOKBJXDCK-UHFFFAOYSA-N
XLogP2.78
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 133363601) is 2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is FC(F)(F)c1cc(N2CCOC(c3cccs3)C2)n2ncnc2n1.
What is the InChIKey of 2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is CHWVHGOKBJXDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5OS/c15-14(16,17)11-6-12(22-13(20-11)18-8-19-22)21-3-4-23-9(7-21)10-2-1-5-24-10/h1-2,5-6,8-9H,3-4,7H2.
What are the key properties of 2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 355.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 133363601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).