4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine

C11H10F3N3O — CID 141412648

IUPAC4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine
SMILESC#Cc1cnc(N2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3O/c1-2-8-7-15-10(9(16-8)11(12,13)14)17-3-5-18-6-4-17/h1,7H,3-6H2
InChIKeyVOWNUTVQDKTDJH-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.31
Rot. Bonds1

About 4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine

4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine (PubChem CID 141412648) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine
PubChem CID141412648
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine
SMILESC#Cc1cnc(N2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3O/c1-2-8-7-15-10(9(16-8)11(12,13)14)17-3-5-18-6-4-17/h1,7H,3-6H2
InChIKeyVOWNUTVQDKTDJH-UHFFFAOYSA-N
XLogP1.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-Dimethylmorpholin-4-yl)pyrazine-2-carbonitrile
CID 479361
3-Morpholinopyrazine-2,5-dicarbonitrile
CID 57399772
4-(6-Methylpyrazin-2-yl)morpholine
CID 54564146
[5-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanol
CID 164642334
1-[4-[5-Ethynyl-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 141412641
5-Ethynyl-2-piperazin-1-yl-3-(trifluoromethyl)pyrazine
CID 141412646
5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine
CID 141412652
5-Ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine
CID 141412665
2-(4,4-Difluoropiperidin-1-yl)-6-ethynylpyrazine
CID 169266276
3-(4,4-Difluoropiperidin-1-yl)-5-ethynyl-2-methylpyrazine
CID 169266772
2-[2-(Ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
CID 170259322
(11R)-13-methyl-5-(trifluoromethyl)-9-oxa-1,3,6,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2,4,6-triene
CID 170450572

Frequently Asked Questions

What is the IUPAC name of 4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine?
The IUPAC name of 4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine (CID 141412648) is 4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine.
What is the SMILES notation for 4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine?
The canonical SMILES for 4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine is C#Cc1cnc(N2CCOCC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine?
The InChIKey is VOWNUTVQDKTDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-2-8-7-15-10(9(16-8)11(12,13)14)17-3-5-18-6-4-17/h1,7H,3-6H2.
What are the key properties of 4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine?
4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine has a molecular weight of 257.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethynyl-3-(trifluoromethyl)pyrazin-2-yl]morpholine is sourced from PubChem (CID 141412648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).