ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate

C18H24N4O5 — CID 169400669

IUPACethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1-c1cccc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C18H24N4O5/c1-3-26-18(23)16-15(19-21-20-16)13-5-4-6-14(24-2)17(13)27-12-9-22-7-10-25-11-8-22/h4-6H,3,7-12H2,1-2H3,(H,19,20,21)
InChIKeyVSIOGMQVVAPMFD-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.37
Rot. Bonds8

About ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate

ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate (PubChem CID 169400669) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate
PubChem CID169400669
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Nameethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1-c1cccc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C18H24N4O5/c1-3-26-18(23)16-15(19-21-20-16)13-5-4-6-14(24-2)17(13)27-12-9-22-7-10-25-11-8-22/h4-6H,3,7-12H2,1-2H3,(H,19,20,21)
InChIKeyVSIOGMQVVAPMFD-UHFFFAOYSA-N
XLogP1.37
TPSA98.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-(2-ethoxy-3-methoxyphenyl)-2H-triazole-4-carboxylate
CID 169399469
2-[2-(5-ethoxycarbonyl-2H-triazol-4-yl)-6-methoxyphenoxy]propanoic acid
CID 169400503
ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400547
ethyl 5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400673
2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride
CID 138398636
5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403663
ethyl 5-(2-hydroxy-4-morpholin-4-ylphenyl)-2H-triazole-4-carboxylate
CID 169400304
5-[2-(3-cyanopropoxy)-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403937
2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394695
2-morpholin-4-ylethyl 2-(2-methoxyphenoxy)acetate
CID 23620376
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate?
The IUPAC name of ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate (CID 169400669) is ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate?
The canonical SMILES for ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate is CCOC(=O)c1n[nH]nc1-c1cccc(OC)c1OCCN1CCOCC1.
What is the InChIKey of ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate?
The InChIKey is VSIOGMQVVAPMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-3-26-18(23)16-15(19-21-20-16)13-5-4-6-14(24-2)17(13)27-12-9-22-7-10-25-11-8-22/h4-6H,3,7-12H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate?
ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate is sourced from PubChem (CID 169400669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).