4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one

C15H24N4O4 — CID 128965566

IUPAC4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one
SMILESCCn1c([C@H]2OCC[C@H]2C)nn(CC(=O)N2CCOCC2)c1=O
InChIInChI=1S/C15H24N4O4/c1-3-18-14(13-11(2)4-7-23-13)16-19(15(18)21)10-12(20)17-5-8-22-9-6-17/h11,13H,3-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyNKYRQKZWCRXXTG-YPMHNXCESA-N
MW324.38 g/mol
LogP0.02
Rot. Bonds4

About 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one

4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one (PubChem CID 128965566) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one
PubChem CID128965566
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one
SMILESCCn1c([C@H]2OCC[C@H]2C)nn(CC(=O)N2CCOCC2)c1=O
InChIInChI=1S/C15H24N4O4/c1-3-18-14(13-11(2)4-7-23-13)16-19(15(18)21)10-12(20)17-5-8-22-9-6-17/h11,13H,3-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyNKYRQKZWCRXXTG-YPMHNXCESA-N
XLogP0.02
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 50973452
4-ethyl-5-(4-piperidinyl)-2-(tetrahydro-2-furanylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50972091
2-(4-(4-cyclopropyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 90542975
4-ethyl-2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one
CID 95133281
4-ethyl-2-[[(2R)-oxolan-2-yl]methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one
CID 95133282
2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95135452
2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95135453
2-(3-(1-(cyclopropanecarbonyl)piperidin-4-yl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 121069975
2-(4-(4-cyclopentyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 121118059
4-ethyl-1-(2-methoxyethyl)-3-(1-((tetrahydrofuran-2-yl)methyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 121118104
3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-4-ethyl-1-(2-methoxyethyl)-1H-1,2,4-triazol-5(4H)-one
CID 121118151
2-(4-(4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 121118201

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one (CID 128965566) is 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one is CCn1c([C@H]2OCC[C@H]2C)nn(CC(=O)N2CCOCC2)c1=O.
What is the InChIKey of 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one?
The InChIKey is NKYRQKZWCRXXTG-YPMHNXCESA-N. The full InChI is InChI=1S/C15H24N4O4/c1-3-18-14(13-11(2)4-7-23-13)16-19(15(18)21)10-12(20)17-5-8-22-9-6-17/h11,13H,3-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one?
4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one has a molecular weight of 324.38 g/mol, XLogP of 0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 128965566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).