4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one

C15H21N5O2 — CID 71928122

IUPAC4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
SMILESCCc1nc(C2CN(Cc3ccn(C)c(=O)c3)CCO2)n[nH]1
InChIInChI=1S/C15H21N5O2/c1-3-13-16-15(18-17-13)12-10-20(6-7-22-12)9-11-4-5-19(2)14(21)8-11/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyHXNTWXYHPBGDBS-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.64
Rot. Bonds4

About 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one

4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one (PubChem CID 71928122) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
PubChem CID71928122
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
SMILESCCc1nc(C2CN(Cc3ccn(C)c(=O)c3)CCO2)n[nH]1
InChIInChI=1S/C15H21N5O2/c1-3-13-16-15(18-17-13)12-10-20(6-7-22-12)9-11-4-5-19(2)14(21)8-11/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyHXNTWXYHPBGDBS-UHFFFAOYSA-N
XLogP0.64
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 96997026
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 71928113
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 96997028
(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
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897248
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71872375
1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
CID 155974237
2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 97059660
(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 97059682
4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928045

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one (CID 71928122) is 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one is CCc1nc(C2CN(Cc3ccn(C)c(=O)c3)CCO2)n[nH]1.
What is the InChIKey of 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is HXNTWXYHPBGDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-13-16-15(18-17-13)12-10-20(6-7-22-12)9-11-4-5-19(2)14(21)8-11/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one?
4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 303.37 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 71928122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).