6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine

C13H22ClN3O2 — CID 82961078

IUPAC6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine
SMILESCCOCCN(CCOCC)c1ccc(CCl)nn1
InChIInChI=1S/C13H22ClN3O2/c1-3-18-9-7-17(8-10-19-4-2)13-6-5-12(11-14)15-16-13/h5-6H,3-4,7-11H2,1-2H3
InChIKeyHKDZVMPZVZTGDC-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.09
Rot. Bonds10

About 6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine

6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine (PubChem CID 82961078) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine
PubChem CID82961078
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine
SMILESCCOCCN(CCOCC)c1ccc(CCl)nn1
InChIInChI=1S/C13H22ClN3O2/c1-3-18-9-7-17(8-10-19-4-2)13-6-5-12(11-14)15-16-13/h5-6H,3-4,7-11H2,1-2H3
InChIKeyHKDZVMPZVZTGDC-UHFFFAOYSA-N
XLogP2.09
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine?
The IUPAC name of 6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine (CID 82961078) is 6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine.
What is the SMILES notation for 6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine?
The canonical SMILES for 6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine is CCOCCN(CCOCC)c1ccc(CCl)nn1.
What is the InChIKey of 6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine?
The InChIKey is HKDZVMPZVZTGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-3-18-9-7-17(8-10-19-4-2)13-6-5-12(11-14)15-16-13/h5-6H,3-4,7-11H2,1-2H3.
What are the key properties of 6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine?
6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine has a molecular weight of 287.79 g/mol, XLogP of 2.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine is sourced from PubChem (CID 82961078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).