1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone

C16H20F3N5O2 — CID 18152045

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H20F3N5O2/c1-8-6-23(7-9(2)26-8)13(25)5-12-10(3)20-15-21-14(16(17,18)19)22-24(15)11(12)4/h8-9H,5-7H2,1-4H3
InChIKeyRYTIKWKBXSPLDQ-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.94
Rot. Bonds2

About 1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 18152045) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID18152045
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H20F3N5O2/c1-8-6-23(7-9(2)26-8)13(25)5-12-10(3)20-15-21-14(16(17,18)19)22-24(15)11(12)4/h8-9H,5-7H2,1-4H3
InChIKeyRYTIKWKBXSPLDQ-UHFFFAOYSA-N
XLogP1.94
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 18152045) is 1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is RYTIKWKBXSPLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-8-6-23(7-9(2)26-8)13(25)5-12-10(3)20-15-21-14(16(17,18)19)22-24(15)11(12)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 371.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 18152045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).