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

C12H20N4O3 — CID 103105071

IUPACethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(CCN2CCOCC2)c1C
InChIInChI=1S/C12H20N4O3/c1-3-19-12(17)11-10(2)16(14-13-11)5-4-15-6-8-18-9-7-15/h3-9H2,1-2H3
InChIKeyHTHWITXHHZNTHC-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.10
Rot. Bonds5

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

ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate (PubChem CID 103105071) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
PubChem CID103105071
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nameethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(CCN2CCOCC2)c1C
InChIInChI=1S/C12H20N4O3/c1-3-19-12(17)11-10(2)16(14-13-11)5-4-15-6-8-18-9-7-15/h3-9H2,1-2H3
InChIKeyHTHWITXHHZNTHC-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-methyl-1-(2-morpholin-4-ylethyl)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 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate
CID 103106195
2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate
CID 103112836
methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105920
5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 82211172
ethyl 5-methyl-1-(3-methylbutyl)triazole-4-carboxylate
CID 103104931
ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
CID 135372990
5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid
CID 62054566
2-(4-ethoxycarbonyl-5-methyltriazol-1-yl)acetic acid
CID 82222614
ethyl 5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxylate
CID 103108488
2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate
CID 103112156
ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate
CID 103104950
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate (CID 103105071) is ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate is CCOC(=O)c1nnn(CCN2CCOCC2)c1C.
What is the InChIKey of ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate?
The InChIKey is HTHWITXHHZNTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-19-12(17)11-10(2)16(14-13-11)5-4-15-6-8-18-9-7-15/h3-9H2,1-2H3.
What are the key properties of ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate?
ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate is sourced from PubChem (CID 103105071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).