methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate

C12H20N4O3 — CID 103105920

IUPACmethyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
SMILESCCc1c(C(=O)OC)nnn1CCN1CCOCC1
InChIInChI=1S/C12H20N4O3/c1-3-10-11(12(17)18-2)13-14-16(10)5-4-15-6-8-19-9-7-15/h3-9H2,1-2H3
InChIKeyXRUSADJVUDFRSF-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.04
Rot. Bonds5

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

methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate (PubChem CID 103105920) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
PubChem CID103105920
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Namemethyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
SMILESCCc1c(C(=O)OC)nnn1CCN1CCOCC1
InChIInChI=1S/C12H20N4O3/c1-3-10-11(12(17)18-2)13-14-16(10)5-4-15-6-8-19-9-7-15/h3-9H2,1-2H3
InChIKeyXRUSADJVUDFRSF-UHFFFAOYSA-N
XLogP-0.04
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate
CID 103106195
methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate
CID 103105718
ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105071
methyl 5-ethyl-1-(5-hydroxypentyl)triazole-4-carboxylate
CID 103105752
methyl 1-[2-(diethylamino)ethyl]-5-ethyltriazole-4-carboxylate
CID 103105875
methyl 5-ethyl-1-(2-pyrazol-1-ylethyl)triazole-4-carboxylate
CID 103105661
5-ethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 82891911
methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate
CID 103105730
methyl 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazole-4-carboxylate
CID 103105737
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-ethyltriazole-4-carboxylate
CID 103105641
5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 103119231
methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate
CID 103105645

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate (CID 103105920) is methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate is CCc1c(C(=O)OC)nnn1CCN1CCOCC1.
What is the InChIKey of methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate?
The InChIKey is XRUSADJVUDFRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-10-11(12(17)18-2)13-14-16(10)5-4-15-6-8-19-9-7-15/h3-9H2,1-2H3.
What are the key properties of methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate?
methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate has a molecular weight of 268.32 g/mol, XLogP of -0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate is sourced from PubChem (CID 103105920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).