2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

C14H19N5O2 — CID 48690146

IUPAC2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2nc3ncccn3n2)CC(C)(C)O1
InChIInChI=1S/C14H19N5O2/c1-10-8-18(9-14(2,3)21-10)12(20)7-11-16-13-15-5-4-6-19(13)17-11/h4-6,10H,7-9H2,1-3H3
InChIKeyBPGPZJDHUPXJLZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.69
Rot. Bonds2

About 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (PubChem CID 48690146) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
PubChem CID48690146
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2nc3ncccn3n2)CC(C)(C)O1
InChIInChI=1S/C14H19N5O2/c1-10-8-18(9-14(2,3)21-10)12(20)7-11-16-13-15-5-4-6-19(13)17-11/h4-6,10H,7-9H2,1-3H3
InChIKeyBPGPZJDHUPXJLZ-UHFFFAOYSA-N
XLogP0.69
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (CID 48690146) is 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)Cc2nc3ncccn3n2)CC(C)(C)O1.
What is the InChIKey of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The InChIKey is BPGPZJDHUPXJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-8-18(9-14(2,3)21-10)12(20)7-11-16-13-15-5-4-6-19(13)17-11/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone has a molecular weight of 289.34 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 48690146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).