4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole

C14H25N3O4 — CID 66215547

IUPAC4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole
SMILESCCOC(OCC)c1cn(CCOC2CCCCO2)nn1
InChIInChI=1S/C14H25N3O4/c1-3-18-14(19-4-2)12-11-17(16-15-12)8-10-21-13-7-5-6-9-20-13/h11,13-14H,3-10H2,1-2H3
InChIKeyWMOZWUSMIRTUNA-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.89
Rot. Bonds9

About 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole

4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole (PubChem CID 66215547) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole.

Molecular Properties

Compound Name4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole
PubChem CID66215547
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole
SMILESCCOC(OCC)c1cn(CCOC2CCCCO2)nn1
InChIInChI=1S/C14H25N3O4/c1-3-18-14(19-4-2)12-11-17(16-15-12)8-10-21-13-7-5-6-9-20-13/h11,13-14H,3-10H2,1-2H3
InChIKeyWMOZWUSMIRTUNA-UHFFFAOYSA-N
XLogP1.89
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole 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

1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
CID 113482722
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878
N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]phenyl]methyl]propan-2-amine
CID 153349678
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine
CID 170704891
ethyl 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylate
CID 59984579
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
4-(diethoxymethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]triazole
CID 103018721
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 66216352
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 172614475
1-[4-(diethoxymethyl)triazol-1-yl]propan-2-ol
CID 66216751
4-(diethoxymethyl)-1-(oxolan-3-yl)triazole
CID 66213944

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole?
The IUPAC name of 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole (CID 66215547) is 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole.
What is the SMILES notation for 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole?
The canonical SMILES for 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole is CCOC(OCC)c1cn(CCOC2CCCCO2)nn1.
What is the InChIKey of 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole?
The InChIKey is WMOZWUSMIRTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-18-14(19-4-2)12-11-17(16-15-12)8-10-21-13-7-5-6-9-20-13/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole?
4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole has a molecular weight of 299.37 g/mol, XLogP of 1.89, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole is sourced from PubChem (CID 66215547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).