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

C10H10F3N5O — CID 47276951

IUPAC4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)n2ncnc2n1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)7-5-8(17-1-3-19-4-2-17)18-9(16-7)14-6-15-18/h5-6H,1-4H2
InChIKeyVBTLEBMTNBZIHI-UHFFFAOYSA-N
MW273.22 g/mol
LogP0.98
Rot. Bonds1

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

4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 47276951) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID47276951
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)n2ncnc2n1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)7-5-8(17-1-3-19-4-2-17)18-9(16-7)14-6-15-18/h5-6H,1-4H2
InChIKeyVBTLEBMTNBZIHI-UHFFFAOYSA-N
XLogP0.98
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 47276951) is 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is FC(F)(F)c1cc(N2CCOCC2)n2ncnc2n1.
What is the InChIKey of 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is VBTLEBMTNBZIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)7-5-8(17-1-3-19-4-2-17)18-9(16-7)14-6-15-18/h5-6H,1-4H2.
What are the key properties of 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 273.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 47276951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).