2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate

C14H24N4O3 — CID 103112156

IUPAC2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate
SMILESCOCCOC(=O)c1nnn(CCCN2CCCC2)c1C
InChIInChI=1S/C14H24N4O3/c1-12-13(14(19)21-11-10-20-2)15-16-18(12)9-5-8-17-6-3-4-7-17/h3-11H2,1-2H3
InChIKeyIVCHUIDIPZMOMV-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.88
Rot. Bonds8

About 2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate

2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate (PubChem CID 103112156) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate
PubChem CID103112156
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate
SMILESCOCCOC(=O)c1nnn(CCCN2CCCC2)c1C
InChIInChI=1S/C14H24N4O3/c1-12-13(14(19)21-11-10-20-2)15-16-18(12)9-5-8-17-6-3-4-7-17/h3-11H2,1-2H3
InChIKeyIVCHUIDIPZMOMV-UHFFFAOYSA-N
XLogP0.88
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate?
The IUPAC name of 2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate (CID 103112156) is 2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate.
What is the SMILES notation for 2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate?
The canonical SMILES for 2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate is COCCOC(=O)c1nnn(CCCN2CCCC2)c1C.
What is the InChIKey of 2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate?
The InChIKey is IVCHUIDIPZMOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-12-13(14(19)21-11-10-20-2)15-16-18(12)9-5-8-17-6-3-4-7-17/h3-11H2,1-2H3.
What are the key properties of 2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate?
2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.88, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate is sourced from PubChem (CID 103112156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).