ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate

C19H26N4O4 — CID 169400547

IUPACethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1-c1ccccc1OCCN1CC(C)OC(C)C1
InChIInChI=1S/C19H26N4O4/c1-4-25-19(24)18-17(20-22-21-18)15-7-5-6-8-16(15)26-10-9-23-11-13(2)27-14(3)12-23/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,21,22)
InChIKeyACAAUMIHEAWPMG-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.14
Rot. Bonds7

About ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate

ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate (PubChem CID 169400547) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate
PubChem CID169400547
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nameethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1-c1ccccc1OCCN1CC(C)OC(C)C1
InChIInChI=1S/C19H26N4O4/c1-4-25-19(24)18-17(20-22-21-18)15-7-5-6-8-16(15)26-10-9-23-11-13(2)27-14(3)12-23/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,21,22)
InChIKeyACAAUMIHEAWPMG-UHFFFAOYSA-N
XLogP2.14
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[2-(2-methylpropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400116
ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400669
5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403652
dimethyl 3-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388845
(2R,6R)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394194
(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394196
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
ethyl 5-[2-(4-fluorophenoxy)phenyl]-2H-triazole-4-carboxylate
CID 169399795
2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
ethyl 5-(2-ethoxy-3-methoxyphenyl)-2H-triazole-4-carboxylate
CID 169399469
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate (CID 169400547) is ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate is CCOC(=O)c1n[nH]nc1-c1ccccc1OCCN1CC(C)OC(C)C1.
What is the InChIKey of ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate?
The InChIKey is ACAAUMIHEAWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-25-19(24)18-17(20-22-21-18)15-7-5-6-8-16(15)26-10-9-23-11-13(2)27-14(3)12-23/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate?
ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate is sourced from PubChem (CID 169400547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).