3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide

C12H22N4O3 — CID 66216352

IUPAC3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide
SMILESCCOC(OCC)c1cn(CCC(=O)N(C)C)nn1
InChIInChI=1S/C12H22N4O3/c1-5-18-12(19-6-2)10-9-16(14-13-10)8-7-11(17)15(3)4/h9,12H,5-8H2,1-4H3
InChIKeyNZYMZHXFNFLAIM-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.83
Rot. Bonds8

About 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide

3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 66216352) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide
PubChem CID66216352
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide
SMILESCCOC(OCC)c1cn(CCC(=O)N(C)C)nn1
InChIInChI=1S/C12H22N4O3/c1-5-18-12(19-6-2)10-9-16(14-13-10)8-7-11(17)15(3)4/h9,12H,5-8H2,1-4H3
InChIKeyNZYMZHXFNFLAIM-UHFFFAOYSA-N
XLogP0.83
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 66214550
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526858
1-[4-(diethoxymethyl)triazol-1-yl]propan-2-ol
CID 66216751
2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66216759
1-[2-[4-(diethoxymethyl)triazol-1-yl]ethyl]pyridin-2-one
CID 82899913
1-[4-(diethoxymethyl)triazol-1-yl]-2-methylbutan-2-ol
CID 114497647
4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole
CID 103185068
N-benzyl-2-[4-(diethoxymethyl)triazol-1-yl]-N-ethylacetamide
CID 113242467
4-(diethoxymethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]triazole
CID 103018721
4-(diethoxymethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]triazole
CID 114532784
2-[4-(diethoxymethyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 66214348
ethyl 4-(4-propan-2-yltriazol-1-yl)butanoate
CID 164942287

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide (CID 66216352) is 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide is CCOC(OCC)c1cn(CCC(=O)N(C)C)nn1.
What is the InChIKey of 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is NZYMZHXFNFLAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-5-18-12(19-6-2)10-9-16(14-13-10)8-7-11(17)15(3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide?
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 0.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 66216352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).