3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine

C12H18ClN3 — CID 61421837

IUPAC3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine
SMILESCCC1CCN(c2ccc(CCl)nn2)CC1
InChIInChI=1S/C12H18ClN3/c1-2-10-5-7-16(8-6-10)12-4-3-11(9-13)14-15-12/h3-4,10H,2,5-9H2,1H3
InChIKeyVGSCCKBCAPBQEU-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.84
Rot. Bonds3

About 3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine

3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine (PubChem CID 61421837) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine
PubChem CID61421837
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine
SMILESCCC1CCN(c2ccc(CCl)nn2)CC1
InChIInChI=1S/C12H18ClN3/c1-2-10-5-7-16(8-6-10)12-4-3-11(9-13)14-15-12/h3-4,10H,2,5-9H2,1H3
InChIKeyVGSCCKBCAPBQEU-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.84
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-(4-ethylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine (CID 61421837) is 3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine is CCC1CCN(c2ccc(CCl)nn2)CC1.
What is the InChIKey of 3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine?
The InChIKey is VGSCCKBCAPBQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-10-5-7-16(8-6-10)12-4-3-11(9-13)14-15-12/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine?
3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine has a molecular weight of 239.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 61421837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).