N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine

C7H9Cl3N4O — CID 71351060

IUPACN-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C7H9Cl3N4O/c1-3-11-5-12-4(7(8,9)10)13-6(14-5)15-2/h3H2,1-2H3,(H,11,12,13,14)
InChIKeyAJNMZOFIKNDCEA-UHFFFAOYSA-N
MW271.54 g/mol
LogP2.14
Rot. Bonds3

About N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine

N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine (PubChem CID 71351060) has the molecular formula C7H9Cl3N4O and a molecular weight of 271.54 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine
PubChem CID71351060
Molecular FormulaC7H9Cl3N4O
Molecular Weight271.54 g/mol
Exact Mass269.98
IUPAC NameN-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C7H9Cl3N4O/c1-3-11-5-12-4(7(8,9)10)13-6(14-5)15-2/h3H2,1-2H3,(H,11,12,13,14)
InChIKeyAJNMZOFIKNDCEA-UHFFFAOYSA-N
XLogP2.14
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.54
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine (CID 71351060) is N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The InChIKey is AJNMZOFIKNDCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl3N4O/c1-3-11-5-12-4(7(8,9)10)13-6(14-5)15-2/h3H2,1-2H3,(H,11,12,13,14).
What are the key properties of N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine has a molecular weight of 271.54 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-6-(trichloromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71351060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).