1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole

C12H23N3O4 — CID 58559443

IUPAC1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole
SMILESCCn1cc(COCCOCCOCCOC)nn1
InChIInChI=1S/C12H23N3O4/c1-3-15-10-12(13-14-15)11-19-9-8-18-7-6-17-5-4-16-2/h10H,3-9,11H2,1-2H3
InChIKeyMCIFDRHNACUFTB-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.49
Rot. Bonds12

About 1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole

1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole (PubChem CID 58559443) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole.

Molecular Properties

Compound Name1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole
PubChem CID58559443
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole
SMILESCCn1cc(COCCOCCOCCOC)nn1
InChIInChI=1S/C12H23N3O4/c1-3-15-10-12(13-14-15)11-19-9-8-18-7-6-17-5-4-16-2/h10H,3-9,11H2,1-2H3
InChIKeyMCIFDRHNACUFTB-UHFFFAOYSA-N
XLogP0.49
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(methoxymethyl)-1-methyl-1H-1,2,3-triazole
CID 58602891
4-(4,5-dihydrooxazol-2-yl)-1-hexyl-1H-1,2,3-triazole
CID 44445272
4-(4,5-dihydrooxazol-2-yl)-1-heptyl-1H-1,2,3-triazole
CID 44445273
4-(Diethoxymethyl)-1-prop-2-enyltriazole
CID 44454609
(3-Methyl-1-nonyltriazol-1-ium-4-yl)methyl acetate
CID 177655562
4-(Ethoxymethyl)-1-ethyltriazole
CID 13230240
4-(methoxymethyl)-1-methyl-1H-1,2,3-triazole
CID 59518209
1-ethyl-4-(methoxymethyl)-1H-1,2,3-triazole
CID 91565422
4-(Diethoxymethyl)-1-(2-fluoroethyl)triazole
CID 80697912
4-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxymethyl]-1-(2-methylpropyl)triazole
CID 88993182
1-(2-Fluoroethyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole
CID 89547540
1-(2-Fluoroethyl)-4-(methoxymethyl)triazole
CID 89548654

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole?
The IUPAC name of 1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole (CID 58559443) is 1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole.
What is the SMILES notation for 1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole?
The canonical SMILES for 1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole is CCn1cc(COCCOCCOCCOC)nn1.
What is the InChIKey of 1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole?
The InChIKey is MCIFDRHNACUFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-3-15-10-12(13-14-15)11-19-9-8-18-7-6-17-5-4-16-2/h10H,3-9,11H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole?
1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole has a molecular weight of 273.33 g/mol, XLogP of 0.49, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole is sourced from PubChem (CID 58559443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).