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

C12H24N4O2 — CID 114526858

IUPAC3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCCOC(OCC)c1cn(CCCN(C)C)nn1
InChIInChI=1S/C12H24N4O2/c1-5-17-12(18-6-2)11-10-16(14-13-11)9-7-8-15(3)4/h10,12H,5-9H2,1-4H3
InChIKeyZLEHCTFBXOKSJE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.30
Rot. Bonds9

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

3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 114526858) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID114526858
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCCOC(OCC)c1cn(CCCN(C)C)nn1
InChIInChI=1S/C12H24N4O2/c1-5-17-12(18-6-2)11-10-16(14-13-11)9-7-8-15(3)4/h10,12H,5-9H2,1-4H3
InChIKeyZLEHCTFBXOKSJE-UHFFFAOYSA-N
XLogP1.30
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine 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

3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 66216352
4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole
CID 103185068
4-(diethoxymethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]triazole
CID 103018721
2-[4-(diethoxymethyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 66214550
1-[4-(diethoxymethyl)triazol-1-yl]propan-2-ol
CID 66216751
4-(diethoxymethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]triazole
CID 114532784
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
2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66216759
4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole
CID 66215547
2-[[4-(diethoxymethyl)triazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 66213746
3-[[4-(diethoxymethyl)triazol-1-yl]methyl]pyridine
CID 66216761

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine (CID 114526858) is 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine is CCOC(OCC)c1cn(CCCN(C)C)nn1.
What is the InChIKey of 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZLEHCTFBXOKSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-5-17-12(18-6-2)11-10-16(14-13-11)9-7-8-15(3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 1.30, 9 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-dimethylpropan-1-amine is sourced from PubChem (CID 114526858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).