1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone

C17H22N4O2 — CID 95166143

IUPAC1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
SMILESCC[C@@H]1CN(C(=O)Cn2nc(C)nc2-c2ccccc2)CCO1
InChIInChI=1S/C17H22N4O2/c1-3-15-11-20(9-10-23-15)16(22)12-21-17(18-13(2)19-21)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3/t15-/m1/s1
InChIKeyAQSJRMUICVGIKR-OAHLLOKOSA-N
MW314.39 g/mol
LogP1.89
Rot. Bonds4

About 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone

1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone (PubChem CID 95166143) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
PubChem CID95166143
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
SMILESCC[C@@H]1CN(C(=O)Cn2nc(C)nc2-c2ccccc2)CCO1
InChIInChI=1S/C17H22N4O2/c1-3-15-11-20(9-10-23-15)16(22)12-21-17(18-13(2)19-21)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3/t15-/m1/s1
InChIKeyAQSJRMUICVGIKR-OAHLLOKOSA-N
XLogP1.89
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone with MolForge

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Related Compounds

2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
CID 100841395
2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetic acid
CID 82512631
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 654746
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
CID 56528726
(4-chloroquinolin-2-yl)-(2-ethylmorpholin-4-yl)methanone
CID 63375773
4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 49152872
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 63324245
2-ethylmorpholine-4-carboxylic acid
CID 121455686
2-[2-[(2R)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113197
2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113198

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone (CID 95166143) is 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone is CC[C@@H]1CN(C(=O)Cn2nc(C)nc2-c2ccccc2)CCO1.
What is the InChIKey of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone?
The InChIKey is AQSJRMUICVGIKR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-15-11-20(9-10-23-15)16(22)12-21-17(18-13(2)19-21)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone?
1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 95166143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).