4-(1-methoxyethoxymethyl)-1-methyltriazole

C7H13N3O2 — CID 174763188

IUPAC4-(1-methoxyethoxymethyl)-1-methyltriazole
SMILESCOC(C)OCc1cn(C)nn1
InChIInChI=1S/C7H13N3O2/c1-6(11-3)12-5-7-4-10(2)9-8-7/h4,6H,5H2,1-3H3
InChIKeyHCMVGLYKEGPEPJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.32
Rot. Bonds4

About 4-(1-methoxyethoxymethyl)-1-methyltriazole

4-(1-methoxyethoxymethyl)-1-methyltriazole (PubChem CID 174763188) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(1-methoxyethoxymethyl)-1-methyltriazole.

Molecular Properties

Compound Name4-(1-methoxyethoxymethyl)-1-methyltriazole
PubChem CID174763188
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name4-(1-methoxyethoxymethyl)-1-methyltriazole
SMILESCOC(C)OCc1cn(C)nn1
InChIInChI=1S/C7H13N3O2/c1-6(11-3)12-5-7-4-10(2)9-8-7/h4,6H,5H2,1-3H3
InChIKeyHCMVGLYKEGPEPJ-UHFFFAOYSA-N
XLogP0.32
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid
CID 107040987
1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole
CID 158771451
3-methoxy-4-methyl-1-(1-methyltriazol-4-yl)pentan-2-one
CID 107047490
4-(1-methyltriazol-4-yl)butan-2-amine
CID 107044565
4-(4-bromo-5-methylhexyl)-1-methyltriazole
CID 107055103
(1-methyltriazol-4-yl)methyl acetate
CID 89224817
4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole
CID 87414714
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054917
5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine
CID 107064246
ethane;4-ethyl-1-methyltriazole
CID 143593274
1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole
CID 167563396

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethoxymethyl)-1-methyltriazole?
The IUPAC name of 4-(1-methoxyethoxymethyl)-1-methyltriazole (CID 174763188) is 4-(1-methoxyethoxymethyl)-1-methyltriazole.
What is the SMILES notation for 4-(1-methoxyethoxymethyl)-1-methyltriazole?
The canonical SMILES for 4-(1-methoxyethoxymethyl)-1-methyltriazole is COC(C)OCc1cn(C)nn1.
What is the InChIKey of 4-(1-methoxyethoxymethyl)-1-methyltriazole?
The InChIKey is HCMVGLYKEGPEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-6(11-3)12-5-7-4-10(2)9-8-7/h4,6H,5H2,1-3H3.
What are the key properties of 4-(1-methoxyethoxymethyl)-1-methyltriazole?
4-(1-methoxyethoxymethyl)-1-methyltriazole has a molecular weight of 171.20 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethoxymethyl)-1-methyltriazole is sourced from PubChem (CID 174763188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).