4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine

C6H7Cl3N4O2 — CID 117061557

IUPAC4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OCC(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H7Cl3N4O2/c1-14-4-11-3(10)12-5(13-4)15-2-6(7,8)9/h2H2,1H3,(H2,10,11,12,13)
InChIKeyYGVJYBPSKNVJRP-UHFFFAOYSA-N
MW273.51 g/mol
LogP1.21
Rot. Bonds3

About 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine

4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine (PubChem CID 117061557) has the molecular formula C6H7Cl3N4O2 and a molecular weight of 273.51 g/mol. Its IUPAC name is 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine
PubChem CID117061557
Molecular FormulaC6H7Cl3N4O2
Molecular Weight273.51 g/mol
Exact Mass271.96
IUPAC Name4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OCC(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H7Cl3N4O2/c1-14-4-11-3(10)12-5(13-4)15-2-6(7,8)9/h2H2,1H3,(H2,10,11,12,13)
InChIKeyYGVJYBPSKNVJRP-UHFFFAOYSA-N
XLogP1.21
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine 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 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine (CID 117061557) is 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine is COc1nc(N)nc(OCC(Cl)(Cl)Cl)n1.
What is the InChIKey of 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is YGVJYBPSKNVJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl3N4O2/c1-14-4-11-3(10)12-5(13-4)15-2-6(7,8)9/h2H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine?
4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 273.51 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 117061557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).