(2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine

C17H24N4O — CID 124622147

IUPAC(2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine
SMILESCCc1ccc([C@H]2CN(Cc3nc(CC)n[nH]3)CCO2)cc1
InChIInChI=1S/C17H24N4O/c1-3-13-5-7-14(8-6-13)15-11-21(9-10-22-15)12-17-18-16(4-2)19-20-17/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,19,20)/t15-/m1/s1
InChIKeyLXXMZMPKJGNMTJ-OAHLLOKOSA-N
MW300.41 g/mol
LogP2.50
Rot. Bonds5

About (2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine

(2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine (PubChem CID 124622147) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine
PubChem CID124622147
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine
SMILESCCc1ccc([C@H]2CN(Cc3nc(CC)n[nH]3)CCO2)cc1
InChIInChI=1S/C17H24N4O/c1-3-13-5-7-14(8-6-13)15-11-21(9-10-22-15)12-17-18-16(4-2)19-20-17/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,19,20)/t15-/m1/s1
InChIKeyLXXMZMPKJGNMTJ-OAHLLOKOSA-N
XLogP2.50
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid
CID 163340417
4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131935697
(2R)-2-(4-bromophenyl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 67351459
4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
CID 71928122
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 96997028
(2R)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(4-ethylphenyl)morpholine-4-carboxamide
CID 129488275
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 71928113
(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 36874411
4-[(2S)-4-ethylmorpholin-2-yl]phenol
CID 71422679
(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512338
(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 96997039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine (CID 124622147) is (2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine is CCc1ccc([C@H]2CN(Cc3nc(CC)n[nH]3)CCO2)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine?
The InChIKey is LXXMZMPKJGNMTJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-13-5-7-14(8-6-13)15-11-21(9-10-22-15)12-17-18-16(4-2)19-20-17/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,19,20)/t15-/m1/s1.
What are the key properties of (2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine?
(2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine has a molecular weight of 300.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine is sourced from PubChem (CID 124622147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).