2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine

C12H10Cl3N3O2 — CID 69032482

IUPAC2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine
SMILESCOc1cc(OC)cc(-c2ncnc(C(Cl)(Cl)Cl)n2)c1
InChIInChI=1S/C12H10Cl3N3O2/c1-19-8-3-7(4-9(5-8)20-2)10-16-6-17-11(18-10)12(13,14)15/h3-6H,1-2H3
InChIKeyJWLNEFUDYIIJIF-UHFFFAOYSA-N
MW334.59 g/mol
LogP3.38
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine

2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine (PubChem CID 69032482) has the molecular formula C12H10Cl3N3O2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine
PubChem CID69032482
Molecular FormulaC12H10Cl3N3O2
Molecular Weight334.59 g/mol
Exact Mass332.98
IUPAC Name2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine
SMILESCOc1cc(OC)cc(-c2ncnc(C(Cl)(Cl)Cl)n2)c1
InChIInChI=1S/C12H10Cl3N3O2/c1-19-8-3-7(4-9(5-8)20-2)10-16-6-17-11(18-10)12(13,14)15/h3-6H,1-2H3
InChIKeyJWLNEFUDYIIJIF-UHFFFAOYSA-N
XLogP3.38
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-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 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine (CID 69032482) is 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine is COc1cc(OC)cc(-c2ncnc(C(Cl)(Cl)Cl)n2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine?
The InChIKey is JWLNEFUDYIIJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O2/c1-19-8-3-7(4-9(5-8)20-2)10-16-6-17-11(18-10)12(13,14)15/h3-6H,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine?
2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine has a molecular weight of 334.59 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4-(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 69032482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).