2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine

C8H12ClN3O3 — CID 62857962

IUPAC2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine
SMILESCCOCCOc1nc(Cl)nc(OC)n1
InChIInChI=1S/C8H12ClN3O3/c1-3-14-4-5-15-8-11-6(9)10-7(12-8)13-2/h3-5H2,1-2H3
InChIKeyDLUXIAMSXVGFSW-UHFFFAOYSA-N
MW233.65 g/mol
LogP0.95
Rot. Bonds6

About 2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine

2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine (PubChem CID 62857962) has the molecular formula C8H12ClN3O3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine
PubChem CID62857962
Molecular FormulaC8H12ClN3O3
Molecular Weight233.65 g/mol
Exact Mass233.06
IUPAC Name2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine
SMILESCCOCCOc1nc(Cl)nc(OC)n1
InChIInChI=1S/C8H12ClN3O3/c1-3-14-4-5-15-8-11-6(9)10-7(12-8)13-2/h3-5H2,1-2H3
InChIKeyDLUXIAMSXVGFSW-UHFFFAOYSA-N
XLogP0.95
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(2-ethoxyethoxy)-6-methoxy-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-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine (CID 62857962) is 2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine is CCOCCOc1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine?
The InChIKey is DLUXIAMSXVGFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3/c1-3-14-4-5-15-8-11-6(9)10-7(12-8)13-2/h3-5H2,1-2H3.
What are the key properties of 2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine?
2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine has a molecular weight of 233.65 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 62857962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).