1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine

C11H17ClN4 — CID 63165035

IUPAC1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(CCl)nn2)C1
InChIInChI=1S/C11H17ClN4/c1-15(2)10-5-6-16(8-10)11-4-3-9(7-12)13-14-11/h3-4,10H,5-8H2,1-2H3
InChIKeyNJXMACFFLHFKDB-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.36
Rot. Bonds3

About 1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine

1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63165035) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63165035
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(CCl)nn2)C1
InChIInChI=1S/C11H17ClN4/c1-15(2)10-5-6-16(8-10)11-4-3-9(7-12)13-14-11/h3-4,10H,5-8H2,1-2H3
InChIKeyNJXMACFFLHFKDB-UHFFFAOYSA-N
XLogP1.36
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine (CID 63165035) is 1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2ccc(CCl)nn2)C1.
What is the InChIKey of 1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is NJXMACFFLHFKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-15(2)10-5-6-16(8-10)11-4-3-9(7-12)13-14-11/h3-4,10H,5-8H2,1-2H3.
What are the key properties of 1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 240.74 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63165035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).