1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole

C8H14N4O — CID 107044463

IUPAC1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole
SMILESCn1cc(COC2(C)CNC2)nn1
InChIInChI=1S/C8H14N4O/c1-8(5-9-6-8)13-4-7-3-12(2)11-10-7/h3,9H,4-6H2,1-2H3
InChIKeyQMCYJFLKSNLBTG-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.31
Rot. Bonds3

About 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole

1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole (PubChem CID 107044463) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole.

Molecular Properties

Compound Name1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole
PubChem CID107044463
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole
SMILESCn1cc(COC2(C)CNC2)nn1
InChIInChI=1S/C8H14N4O/c1-8(5-9-6-8)13-4-7-3-12(2)11-10-7/h3,9H,4-6H2,1-2H3
InChIKeyQMCYJFLKSNLBTG-UHFFFAOYSA-N
XLogP-0.31
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]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-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole
CID 107058600
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 105415593
[4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
CID 107040805
(1-methyltriazol-4-yl)methyl acetate
CID 89224817
4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole
CID 87414714
3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine
CID 107044452
1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 65215067
1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062017
ethane;4-ethyl-1-methyltriazole
CID 143593274
N-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]propan-1-amine
CID 107044413
4-[(1-methyltriazol-4-yl)methoxy]cyclohexan-1-amine
CID 107041689

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole?
The IUPAC name of 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole (CID 107044463) is 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole.
What is the SMILES notation for 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole?
The canonical SMILES for 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole is Cn1cc(COC2(C)CNC2)nn1.
What is the InChIKey of 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole?
The InChIKey is QMCYJFLKSNLBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(5-9-6-8)13-4-7-3-12(2)11-10-7/h3,9H,4-6H2,1-2H3.
What are the key properties of 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole?
1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole has a molecular weight of 182.23 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole is sourced from PubChem (CID 107044463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).