3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole

C11H19N3O — CID 71974204

IUPAC3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole
SMILESCCc1nc(CC)n(CC2CCOC2)n1
InChIInChI=1S/C11H19N3O/c1-3-10-12-11(4-2)14(13-10)7-9-5-6-15-8-9/h9H,3-8H2,1-2H3
InChIKeyOASSNPNXQLGISW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.44
Rot. Bonds4

About 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole

3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole (PubChem CID 71974204) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole
PubChem CID71974204
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole
SMILESCCc1nc(CC)n(CC2CCOC2)n1
InChIInChI=1S/C11H19N3O/c1-3-10-12-11(4-2)14(13-10)7-9-5-6-15-8-9/h9H,3-8H2,1-2H3
InChIKeyOASSNPNXQLGISW-UHFFFAOYSA-N
XLogP1.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-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

3,5-dibromo-1-(oxolan-3-ylmethyl)-1,2,4-triazole
CID 130685886
4-bromo-5-methyl-2-(oxolan-3-ylmethyl)triazole
CID 123139283
2-[5-[[(3S)-oxolan-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide
CID 97455270
3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
CID 131182892
N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 62731172
3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde
CID 62726703
5-cyclopropyl-4-methyl-2-[[(3R)-oxolan-3-yl]methyl]-1,2,4-triazol-3-one
CID 164642257
5-bromo-4-methyl-1-(oxolan-3-ylmethyl)triazole
CID 123205395
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol
CID 62729993
5-amino-3-methyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbonitrile
CID 75380519
[5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine
CID 82505598
3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole
CID 138382681

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole?
The IUPAC name of 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole (CID 71974204) is 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole is CCc1nc(CC)n(CC2CCOC2)n1.
What is the InChIKey of 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole?
The InChIKey is OASSNPNXQLGISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-10-12-11(4-2)14(13-10)7-9-5-6-15-8-9/h9H,3-8H2,1-2H3.
What are the key properties of 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole?
3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole has a molecular weight of 209.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 71974204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).