(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C13H22N4O2 — CID 102745146

IUPAC(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCCc1nc(C(=O)N2CC(C)(C)OC(C)(C)C2)n[nH]1
InChIInChI=1S/C13H22N4O2/c1-6-9-14-10(16-15-9)11(18)17-7-12(2,3)19-13(4,5)8-17/h6-8H2,1-5H3,(H,14,15,16)
InChIKeyQYNALFNRTXWYED-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.40
Rot. Bonds2

About (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102745146) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102745146
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCCc1nc(C(=O)N2CC(C)(C)OC(C)(C)C2)n[nH]1
InChIInChI=1S/C13H22N4O2/c1-6-9-14-10(16-15-9)11(18)17-7-12(2,3)19-13(4,5)8-17/h6-8H2,1-5H3,(H,14,15,16)
InChIKeyQYNALFNRTXWYED-UHFFFAOYSA-N
XLogP1.40
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone with MolForge

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Related Compounds

(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745147
1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321230
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 103357589
[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 115301600
[(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 115302130
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 81474464
(3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 130825736
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 114460667
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 104968244
methyl 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 114009914
5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114095110
(5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755340

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102745146) is (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CCc1nc(C(=O)N2CC(C)(C)OC(C)(C)C2)n[nH]1.
What is the InChIKey of (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is QYNALFNRTXWYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-6-9-14-10(16-15-9)11(18)17-7-12(2,3)19-13(4,5)8-17/h6-8H2,1-5H3,(H,14,15,16).
What are the key properties of (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102745146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).