2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine

C11H22N4O3 — CID 70934799

IUPAC2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine
SMILESCNCCOCc1cn(CCOCCOC)nn1
InChIInChI=1S/C11H22N4O3/c1-12-3-5-18-10-11-9-15(14-13-11)4-6-17-8-7-16-2/h9,12H,3-8,10H2,1-2H3
InChIKeyCGAUZXQAQRHJPP-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.32
Rot. Bonds11

About 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine

2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine (PubChem CID 70934799) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine
PubChem CID70934799
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine
SMILESCNCCOCc1cn(CCOCCOC)nn1
InChIInChI=1S/C11H22N4O3/c1-12-3-5-18-10-11-9-15(14-13-11)4-6-17-8-7-16-2/h9,12H,3-8,10H2,1-2H3
InChIKeyCGAUZXQAQRHJPP-UHFFFAOYSA-N
XLogP-0.32
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine?
The IUPAC name of 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine (CID 70934799) is 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine.
What is the SMILES notation for 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine?
The canonical SMILES for 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine is CNCCOCc1cn(CCOCCOC)nn1.
What is the InChIKey of 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine?
The InChIKey is CGAUZXQAQRHJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-12-3-5-18-10-11-9-15(14-13-11)4-6-17-8-7-16-2/h9,12H,3-8,10H2,1-2H3.
What are the key properties of 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine?
2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine has a molecular weight of 258.32 g/mol, XLogP of -0.32, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]-N-methylethanamine is sourced from PubChem (CID 70934799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).