3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole

C12H14ClN3O — CID 55185334

IUPAC3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1cccc(COC)c1
InChIInChI=1S/C12H14ClN3O/c1-3-11-14-15-12(13)16(11)10-6-4-5-9(7-10)8-17-2/h4-7H,3,8H2,1-2H3
InChIKeyWEUZWOAZDKJIRA-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.63
Rot. Bonds4

About 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole

3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole (PubChem CID 55185334) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole
PubChem CID55185334
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1cccc(COC)c1
InChIInChI=1S/C12H14ClN3O/c1-3-11-14-15-12(13)16(11)10-6-4-5-9(7-10)8-17-2/h4-7H,3,8H2,1-2H3
InChIKeyWEUZWOAZDKJIRA-UHFFFAOYSA-N
XLogP2.63
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole (CID 55185334) is 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole is CCc1nnc(Cl)n1-c1cccc(COC)c1.
What is the InChIKey of 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole?
The InChIKey is WEUZWOAZDKJIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-11-14-15-12(13)16(11)10-6-4-5-9(7-10)8-17-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole?
3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole has a molecular weight of 251.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 55185334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).