2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine

C14H20N4OS — CID 128997862

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
SMILESCCn1cnnc1C1CN(Cc2sccc2C)CCO1
InChIInChI=1S/C14H20N4OS/c1-3-18-10-15-16-14(18)12-8-17(5-6-19-12)9-13-11(2)4-7-20-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3
InChIKeyDTFMOZVXDCHYAB-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.24
Rot. Bonds4

About 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine

2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine (PubChem CID 128997862) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
PubChem CID128997862
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
SMILESCCn1cnnc1C1CN(Cc2sccc2C)CCO1
InChIInChI=1S/C14H20N4OS/c1-3-18-10-15-16-14(18)12-8-17(5-6-19-12)9-13-11(2)4-7-20-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3
InChIKeyDTFMOZVXDCHYAB-UHFFFAOYSA-N
XLogP2.24
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129340117
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246
(2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129342067
(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332069
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 129337565
(1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol
CID 129333633
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 129336394

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine (CID 128997862) is 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine is CCn1cnnc1C1CN(Cc2sccc2C)CCO1.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine?
The InChIKey is DTFMOZVXDCHYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-18-10-15-16-14(18)12-8-17(5-6-19-12)9-13-11(2)4-7-20-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine?
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine has a molecular weight of 292.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine is sourced from PubChem (CID 128997862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).