1-(4-chlorophenyl)-4-(ethoxymethyl)triazole

C11H12ClN3O — CID 125478479

IUPAC1-(4-chlorophenyl)-4-(ethoxymethyl)triazole
SMILESCCOCc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3
InChIKeyFJULFFCNBYKZJR-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole

1-(4-chlorophenyl)-4-(ethoxymethyl)triazole (PubChem CID 125478479) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(ethoxymethyl)triazole
PubChem CID125478479
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name1-(4-chlorophenyl)-4-(ethoxymethyl)triazole
SMILESCCOCc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3
InChIKeyFJULFFCNBYKZJR-UHFFFAOYSA-N
XLogP2.46
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole 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 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole?
The IUPAC name of 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole (CID 125478479) is 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole is CCOCc1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole?
The InChIKey is FJULFFCNBYKZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole?
1-(4-chlorophenyl)-4-(ethoxymethyl)triazole has a molecular weight of 237.69 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(ethoxymethyl)triazole is sourced from PubChem (CID 125478479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).