ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate

C14H24N4O3 — CID 103106195

IUPACethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)nnn1CCN1CCOCC1
InChIInChI=1S/C14H24N4O3/c1-3-5-12-13(14(19)21-4-2)15-16-18(12)7-6-17-8-10-20-11-9-17/h3-11H2,1-2H3
InChIKeyFLSAZDRGJOLNNW-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.74
Rot. Bonds7

About ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate

ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate (PubChem CID 103106195) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate
PubChem CID103106195
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)nnn1CCN1CCOCC1
InChIInChI=1S/C14H24N4O3/c1-3-5-12-13(14(19)21-4-2)15-16-18(12)7-6-17-8-10-20-11-9-17/h3-11H2,1-2H3
InChIKeyFLSAZDRGJOLNNW-UHFFFAOYSA-N
XLogP0.74
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105071
ethyl 1,5-dipropyltriazole-4-carboxylate
CID 103106241
methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105920
ethyl 1-(2-ethoxyethyl)-5-propyltriazole-4-carboxylate
CID 103106077
ethyl 1-(6-hydroxyhexyl)-5-propyltriazole-4-carboxylate
CID 107706598
5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 103119231
ethyl 1-(3-methoxypropyl)-5-propyltriazole-4-carboxylate
CID 103106084
ethyl 5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxylate
CID 103108488
ethyl 1-[3-(dimethylamino)propyl]-5-propyltriazole-4-carboxylate
CID 103106072
ethyl 1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyltriazole-4-carboxylate
CID 103106164
ethyl 1-[(5-bromothiophen-2-yl)methyl]-5-propyltriazole-4-carboxylate
CID 103106126
ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
CID 135372990

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate (CID 103106195) is ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate is CCCc1c(C(=O)OCC)nnn1CCN1CCOCC1.
What is the InChIKey of ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate?
The InChIKey is FLSAZDRGJOLNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-5-12-13(14(19)21-4-2)15-16-18(12)7-6-17-8-10-20-11-9-17/h3-11H2,1-2H3.
What are the key properties of ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate?
ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate is sourced from PubChem (CID 103106195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).