4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole

C13H25N3O4 — CID 103185068

IUPAC4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole
SMILESCCOC(OCC)c1cn(CCOCCCOC)nn1
InChIInChI=1S/C13H25N3O4/c1-4-19-13(20-5-2)12-11-16(15-14-12)7-10-18-9-6-8-17-3/h11,13H,4-10H2,1-3H3
InChIKeySZVDTEZUJSTUIO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.40
Rot. Bonds12

About 4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole

4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole (PubChem CID 103185068) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole.

Molecular Properties

Compound Name4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole
PubChem CID103185068
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole
SMILESCCOC(OCC)c1cn(CCOCCCOC)nn1
InChIInChI=1S/C13H25N3O4/c1-4-19-13(20-5-2)12-11-16(15-14-12)7-10-18-9-6-8-17-3/h11,13H,4-10H2,1-3H3
InChIKeySZVDTEZUJSTUIO-UHFFFAOYSA-N
XLogP1.40
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526858
2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 66214348
4-(1-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
CID 103412254
1-[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]ethanone
CID 164663036
4-(diethoxymethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]triazole
CID 103018721
4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole
CID 66215547
1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
CID 103176665
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 66216352
1-[4-(diethoxymethyl)triazol-1-yl]propan-2-ol
CID 66216751
N-[[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 55073341
1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
CID 114420137
4-(diethoxymethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]triazole
CID 114532784

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole?
The IUPAC name of 4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole (CID 103185068) is 4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole.
What is the SMILES notation for 4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole?
The canonical SMILES for 4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole is CCOC(OCC)c1cn(CCOCCCOC)nn1.
What is the InChIKey of 4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole?
The InChIKey is SZVDTEZUJSTUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-4-19-13(20-5-2)12-11-16(15-14-12)7-10-18-9-6-8-17-3/h11,13H,4-10H2,1-3H3.
What are the key properties of 4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole?
4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole has a molecular weight of 287.36 g/mol, XLogP of 1.40, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole is sourced from PubChem (CID 103185068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).