4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine

C16H22N4O — CID 126444550

IUPAC4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
SMILESCCn1ncnc1-c1ccc([C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C16H22N4O/c1-3-20-16(17-12-18-20)15-6-4-14(5-7-15)13(2)19-8-10-21-11-9-19/h4-7,12-13H,3,8-11H2,1-2H3/t13-/m0/s1
InChIKeyZKFURZSMVKHLRS-ZDUSSCGKSA-N
MW286.38 g/mol
LogP2.36
Rot. Bonds4

About 4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine

4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine (PubChem CID 126444550) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
PubChem CID126444550
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
SMILESCCn1ncnc1-c1ccc([C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C16H22N4O/c1-3-20-16(17-12-18-20)15-6-4-14(5-7-15)13(2)19-8-10-21-11-9-19/h4-7,12-13H,3,8-11H2,1-2H3/t13-/m0/s1
InChIKeyZKFURZSMVKHLRS-ZDUSSCGKSA-N
XLogP2.36
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819
4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126434299
4-[(1R)-1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)phenyl]ethyl]morpholine
CID 126445943
4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine
CID 50983209
4-[(1R)-1-[4-(6-methylpyrazino[2,3-b]pyrazin-2-yl)phenyl]ethyl]morpholine
CID 126441384
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine
CID 126437472
4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine
CID 163314713
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine?
The IUPAC name of 4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine (CID 126444550) is 4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine?
The canonical SMILES for 4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine is CCn1ncnc1-c1ccc([C@H](C)N2CCOCC2)cc1.
What is the InChIKey of 4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine?
The InChIKey is ZKFURZSMVKHLRS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-20-16(17-12-18-20)15-6-4-14(5-7-15)13(2)19-8-10-21-11-9-19/h4-7,12-13H,3,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine?
4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine has a molecular weight of 286.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine is sourced from PubChem (CID 126444550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).