3-(4-ethylphenoxy)-1,2,4-triazine

C11H11N3O — CID 132849071

IUPAC3-(4-ethylphenoxy)-1,2,4-triazine
SMILESCCc1ccc(Oc2nccnn2)cc1
InChIInChI=1S/C11H11N3O/c1-2-9-3-5-10(6-4-9)15-11-12-7-8-13-14-11/h3-8H,2H2,1H3
InChIKeyXEWKCXMYVJQJKB-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.23
Rot. Bonds3

About 3-(4-ethylphenoxy)-1,2,4-triazine

3-(4-ethylphenoxy)-1,2,4-triazine (PubChem CID 132849071) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-1,2,4-triazine
PubChem CID132849071
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-(4-ethylphenoxy)-1,2,4-triazine
SMILESCCc1ccc(Oc2nccnn2)cc1
InChIInChI=1S/C11H11N3O/c1-2-9-3-5-10(6-4-9)15-11-12-7-8-13-14-11/h3-8H,2H2,1H3
InChIKeyXEWKCXMYVJQJKB-UHFFFAOYSA-N
XLogP2.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylphenoxy)-1,2,4-triazine 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 3-(4-ethylphenoxy)-1,2,4-triazine?
The IUPAC name of 3-(4-ethylphenoxy)-1,2,4-triazine (CID 132849071) is 3-(4-ethylphenoxy)-1,2,4-triazine.
What is the SMILES notation for 3-(4-ethylphenoxy)-1,2,4-triazine?
The canonical SMILES for 3-(4-ethylphenoxy)-1,2,4-triazine is CCc1ccc(Oc2nccnn2)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-1,2,4-triazine?
The InChIKey is XEWKCXMYVJQJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-9-3-5-10(6-4-9)15-11-12-7-8-13-14-11/h3-8H,2H2,1H3.
What are the key properties of 3-(4-ethylphenoxy)-1,2,4-triazine?
3-(4-ethylphenoxy)-1,2,4-triazine has a molecular weight of 201.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-1,2,4-triazine is sourced from PubChem (CID 132849071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).