(2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine

C15H20N4O — CID 118117772

IUPAC(2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine
SMILESCC[C@@H]1CN[C@H](Cc2cccc(-n3nccn3)c2)CO1
InChIInChI=1S/C15H20N4O/c1-2-15-10-16-13(11-20-15)8-12-4-3-5-14(9-12)19-17-6-7-18-19/h3-7,9,13,15-16H,2,8,10-11H2,1H3/t13-,15-/m1/s1
InChIKeyFPSWQQMPSWZLDR-UKRRQHHQSA-N
MW272.35 g/mol
LogP1.58
Rot. Bonds4

About (2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine

(2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine (PubChem CID 118117772) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine
PubChem CID118117772
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine
SMILESCC[C@@H]1CN[C@H](Cc2cccc(-n3nccn3)c2)CO1
InChIInChI=1S/C15H20N4O/c1-2-15-10-16-13(11-20-15)8-12-4-3-5-14(9-12)19-17-6-7-18-19/h3-7,9,13,15-16H,2,8,10-11H2,1H3/t13-,15-/m1/s1
InChIKeyFPSWQQMPSWZLDR-UKRRQHHQSA-N
XLogP1.58
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
The IUPAC name of (2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine (CID 118117772) is (2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine.
What is the SMILES notation for (2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
The canonical SMILES for (2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine is CC[C@@H]1CN[C@H](Cc2cccc(-n3nccn3)c2)CO1.
What is the InChIKey of (2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
The InChIKey is FPSWQQMPSWZLDR-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-15-10-16-13(11-20-15)8-12-4-3-5-14(9-12)19-17-6-7-18-19/h3-7,9,13,15-16H,2,8,10-11H2,1H3/t13-,15-/m1/s1.
What are the key properties of (2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
(2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine has a molecular weight of 272.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-ethyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 118117772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).