2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide

C20H24N6O2 — CID 166285335

IUPAC2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide
SMILESCCN1CCOCC1CC(=O)Nc1ccc(Cc2nnc3ncccn23)cc1
InChIInChI=1S/C20H24N6O2/c1-2-25-10-11-28-14-17(25)13-19(27)22-16-6-4-15(5-7-16)12-18-23-24-20-21-8-3-9-26(18)20/h3-9,17H,2,10-14H2,1H3,(H,22,27)
InChIKeyJLDTXIGWOPHSAX-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.76
Rot. Bonds6

About 2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide

2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide (PubChem CID 166285335) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide
PubChem CID166285335
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide
SMILESCCN1CCOCC1CC(=O)Nc1ccc(Cc2nnc3ncccn23)cc1
InChIInChI=1S/C20H24N6O2/c1-2-25-10-11-28-14-17(25)13-19(27)22-16-6-4-15(5-7-16)12-18-23-24-20-21-8-3-9-26(18)20/h3-9,17H,2,10-14H2,1H3,(H,22,27)
InChIKeyJLDTXIGWOPHSAX-UHFFFAOYSA-N
XLogP1.76
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide (CID 166285335) is 2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide is CCN1CCOCC1CC(=O)Nc1ccc(Cc2nnc3ncccn23)cc1.
What is the InChIKey of 2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide?
The InChIKey is JLDTXIGWOPHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-25-10-11-28-14-17(25)13-19(27)22-16-6-4-15(5-7-16)12-18-23-24-20-21-8-3-9-26(18)20/h3-9,17H,2,10-14H2,1H3,(H,22,27).
What are the key properties of 2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide?
2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 166285335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).