1-(2,2-dimethoxyethyl)-5-ethoxytriazole

C8H15N3O3 — CID 45093910

IUPAC1-(2,2-dimethoxyethyl)-5-ethoxytriazole
SMILESCCOc1cnnn1CC(OC)OC
InChIInChI=1S/C8H15N3O3/c1-4-14-7-5-9-10-11(7)6-8(12-2)13-3/h5,8H,4,6H2,1-3H3
InChIKeyVLGYZDXBRDLYOQ-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.30
Rot. Bonds6

About 1-(2,2-dimethoxyethyl)-5-ethoxytriazole

1-(2,2-dimethoxyethyl)-5-ethoxytriazole (PubChem CID 45093910) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-5-ethoxytriazole.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-5-ethoxytriazole
PubChem CID45093910
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name1-(2,2-dimethoxyethyl)-5-ethoxytriazole
SMILESCCOc1cnnn1CC(OC)OC
InChIInChI=1S/C8H15N3O3/c1-4-14-7-5-9-10-11(7)6-8(12-2)13-3/h5,8H,4,6H2,1-3H3
InChIKeyVLGYZDXBRDLYOQ-UHFFFAOYSA-N
XLogP0.30
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-5-ethoxytriazole?
The IUPAC name of 1-(2,2-dimethoxyethyl)-5-ethoxytriazole (CID 45093910) is 1-(2,2-dimethoxyethyl)-5-ethoxytriazole.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-5-ethoxytriazole?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-5-ethoxytriazole is CCOc1cnnn1CC(OC)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-5-ethoxytriazole?
The InChIKey is VLGYZDXBRDLYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-4-14-7-5-9-10-11(7)6-8(12-2)13-3/h5,8H,4,6H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-5-ethoxytriazole?
1-(2,2-dimethoxyethyl)-5-ethoxytriazole has a molecular weight of 201.23 g/mol, XLogP of 0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-5-ethoxytriazole is sourced from PubChem (CID 45093910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).