3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine

C12H18ClN3O — CID 61269546

IUPAC3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine
SMILESCN1CCCC1CCOc1ccc(CCl)nn1
InChIInChI=1S/C12H18ClN3O/c1-16-7-2-3-11(16)6-8-17-12-5-4-10(9-13)14-15-12/h4-5,11H,2-3,6-9H2,1H3
InChIKeyHFZRLZXKQUFHBC-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.08
Rot. Bonds5

About 3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine

3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine (PubChem CID 61269546) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine
PubChem CID61269546
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine
SMILESCN1CCCC1CCOc1ccc(CCl)nn1
InChIInChI=1S/C12H18ClN3O/c1-16-7-2-3-11(16)6-8-17-12-5-4-10(9-13)14-15-12/h4-5,11H,2-3,6-9H2,1H3
InChIKeyHFZRLZXKQUFHBC-UHFFFAOYSA-N
XLogP2.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.08
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

[6-[(1-methylpiperidin-2-yl)methoxy]pyridazin-3-yl]methanol
CID 65467681
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
CID 61101138
2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
CID 62477621
3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
CID 117063213
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine
CID 62086914
N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide
CID 136920317
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazin-2-amine
CID 80648161
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 62323923

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine?
The IUPAC name of 3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine (CID 61269546) is 3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine is CN1CCCC1CCOc1ccc(CCl)nn1.
What is the InChIKey of 3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine?
The InChIKey is HFZRLZXKQUFHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-16-7-2-3-11(16)6-8-17-12-5-4-10(9-13)14-15-12/h4-5,11H,2-3,6-9H2,1H3.
What are the key properties of 3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine?
3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine has a molecular weight of 255.75 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine is sourced from PubChem (CID 61269546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).