3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine

C11H17ClN2O — CID 66232513

IUPAC3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine
SMILESCC(C)(C)CCOc1ccc(CCl)nn1
InChIInChI=1S/C11H17ClN2O/c1-11(2,3)6-7-15-10-5-4-9(8-12)13-14-10/h4-5H,6-8H2,1-3H3
InChIKeyZXQBBIDZKONDSN-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.03
Rot. Bonds4

About 3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine

3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine (PubChem CID 66232513) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine
PubChem CID66232513
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine
SMILESCC(C)(C)CCOc1ccc(CCl)nn1
InChIInChI=1S/C11H17ClN2O/c1-11(2,3)6-7-15-10-5-4-9(8-12)13-14-10/h4-5H,6-8H2,1-3H3
InChIKeyZXQBBIDZKONDSN-UHFFFAOYSA-N
XLogP3.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine (CID 66232513) is 3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine is CC(C)(C)CCOc1ccc(CCl)nn1.
What is the InChIKey of 3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine?
The InChIKey is ZXQBBIDZKONDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-11(2,3)6-7-15-10-5-4-9(8-12)13-14-10/h4-5H,6-8H2,1-3H3.
What are the key properties of 3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine?
3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine has a molecular weight of 228.72 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine is sourced from PubChem (CID 66232513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).