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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Related Compounds

3-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridazine
CID 61257627
3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine
CID 61421837
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine
CID 61255944
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329265
3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
CID 130548160
3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine
CID 61445366
4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine
CID 61257804
1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63168925
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755

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).