4-(ethoxymethyl)-1-ethyltriazole

C7H13N3O — CID 13230240

IUPAC4-(ethoxymethyl)-1-ethyltriazole
SMILESCCOCc1cn(CC)nn1
InChIInChI=1S/C7H13N3O/c1-3-10-5-7(8-9-10)6-11-4-2/h5H,3-4,6H2,1-2H3
InChIKeyTZWMUHIRIMNNHE-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.83
Rot. Bonds4

About 4-(ethoxymethyl)-1-ethyltriazole

4-(ethoxymethyl)-1-ethyltriazole (PubChem CID 13230240) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-ethyltriazole.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-ethyltriazole
PubChem CID13230240
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(ethoxymethyl)-1-ethyltriazole
SMILESCCOCc1cn(CC)nn1
InChIInChI=1S/C7H13N3O/c1-3-10-5-7(8-9-10)6-11-4-2/h5H,3-4,6H2,1-2H3
InChIKeyTZWMUHIRIMNNHE-UHFFFAOYSA-N
XLogP0.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1-ethyltriazole?
The IUPAC name of 4-(ethoxymethyl)-1-ethyltriazole (CID 13230240) is 4-(ethoxymethyl)-1-ethyltriazole.
What is the SMILES notation for 4-(ethoxymethyl)-1-ethyltriazole?
The canonical SMILES for 4-(ethoxymethyl)-1-ethyltriazole is CCOCc1cn(CC)nn1.
What is the InChIKey of 4-(ethoxymethyl)-1-ethyltriazole?
The InChIKey is TZWMUHIRIMNNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-10-5-7(8-9-10)6-11-4-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-1-ethyltriazole?
4-(ethoxymethyl)-1-ethyltriazole has a molecular weight of 155.20 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-ethyltriazole is sourced from PubChem (CID 13230240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).