[6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine

C11H8Cl3N3O — CID 62297584

IUPAC[6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine
SMILESNCc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nn1
InChIInChI=1S/C11H8Cl3N3O/c12-7-3-9(14)10(4-8(7)13)18-11-2-1-6(5-15)16-17-11/h1-4H,5,15H2
InChIKeyOIAAMCFILVINPD-UHFFFAOYSA-N
MW304.56 g/mol
LogP3.69
Rot. Bonds3

About [6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine

[6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine (PubChem CID 62297584) has the molecular formula C11H8Cl3N3O and a molecular weight of 304.56 g/mol. Its IUPAC name is [6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine
PubChem CID62297584
Molecular FormulaC11H8Cl3N3O
Molecular Weight304.56 g/mol
Exact Mass302.97
IUPAC Name[6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine
SMILESNCc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nn1
InChIInChI=1S/C11H8Cl3N3O/c12-7-3-9(14)10(4-8(7)13)18-11-2-1-6(5-15)16-17-11/h1-4H,5,15H2
InChIKeyOIAAMCFILVINPD-UHFFFAOYSA-N
XLogP3.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine?
The IUPAC name of [6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine (CID 62297584) is [6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine is NCc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nn1.
What is the InChIKey of [6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine?
The InChIKey is OIAAMCFILVINPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O/c12-7-3-9(14)10(4-8(7)13)18-11-2-1-6(5-15)16-17-11/h1-4H,5,15H2.
What are the key properties of [6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine?
[6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine has a molecular weight of 304.56 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine is sourced from PubChem (CID 62297584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).