4-(4-ethylphenoxy)triazolidine

C10H15N3O — CID 165414410

IUPAC4-(4-ethylphenoxy)triazolidine
SMILESCCc1ccc(OC2CNNN2)cc1
InChIInChI=1S/C10H15N3O/c1-2-8-3-5-9(6-4-8)14-10-7-11-13-12-10/h3-6,10-13H,2,7H2,1H3
InChIKeyHWDRCIRJYHUUJZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.57
Rot. Bonds3

About 4-(4-ethylphenoxy)triazolidine

4-(4-ethylphenoxy)triazolidine (PubChem CID 165414410) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)triazolidine.

Molecular Properties

Compound Name4-(4-ethylphenoxy)triazolidine
PubChem CID165414410
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-(4-ethylphenoxy)triazolidine
SMILESCCc1ccc(OC2CNNN2)cc1
InChIInChI=1S/C10H15N3O/c1-2-8-3-5-9(6-4-8)14-10-7-11-13-12-10/h3-6,10-13H,2,7H2,1H3
InChIKeyHWDRCIRJYHUUJZ-UHFFFAOYSA-N
XLogP0.57
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethylphenoxy)triazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenoxy)triazolidine?
The IUPAC name of 4-(4-ethylphenoxy)triazolidine (CID 165414410) is 4-(4-ethylphenoxy)triazolidine.
What is the SMILES notation for 4-(4-ethylphenoxy)triazolidine?
The canonical SMILES for 4-(4-ethylphenoxy)triazolidine is CCc1ccc(OC2CNNN2)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)triazolidine?
The InChIKey is HWDRCIRJYHUUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-8-3-5-9(6-4-8)14-10-7-11-13-12-10/h3-6,10-13H,2,7H2,1H3.
What are the key properties of 4-(4-ethylphenoxy)triazolidine?
4-(4-ethylphenoxy)triazolidine has a molecular weight of 193.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenoxy)triazolidine is sourced from PubChem (CID 165414410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).