3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine

C21H28ClN5 — CID 59442820

IUPAC3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine
SMILESCN1CCCC(CN2CCN(c3ccc(-c4cccc(Cl)c4)nn3)CC2)C1
InChIInChI=1S/C21H28ClN5/c1-25-9-3-4-17(15-25)16-26-10-12-27(13-11-26)21-8-7-20(23-24-21)18-5-2-6-19(22)14-18/h2,5-8,14,17H,3-4,9-13,15-16H2,1H3
InChIKeyVNDZHSIRXOIHBP-UHFFFAOYSA-N
MW385.94 g/mol
LogP3.26
Rot. Bonds4

About 3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine

3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine (PubChem CID 59442820) has the molecular formula C21H28ClN5 and a molecular weight of 385.94 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine
PubChem CID59442820
Molecular FormulaC21H28ClN5
Molecular Weight385.94 g/mol
Exact Mass385.20
IUPAC Name3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine
SMILESCN1CCCC(CN2CCN(c3ccc(-c4cccc(Cl)c4)nn3)CC2)C1
InChIInChI=1S/C21H28ClN5/c1-25-9-3-4-17(15-25)16-26-10-12-27(13-11-26)21-8-7-20(23-24-21)18-5-2-6-19(22)14-18/h2,5-8,14,17H,3-4,9-13,15-16H2,1H3
InChIKeyVNDZHSIRXOIHBP-UHFFFAOYSA-N
XLogP3.26
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine (CID 59442820) is 3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine is CN1CCCC(CN2CCN(c3ccc(-c4cccc(Cl)c4)nn3)CC2)C1.
What is the InChIKey of 3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine?
The InChIKey is VNDZHSIRXOIHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5/c1-25-9-3-4-17(15-25)16-26-10-12-27(13-11-26)21-8-7-20(23-24-21)18-5-2-6-19(22)14-18/h2,5-8,14,17H,3-4,9-13,15-16H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine?
3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine has a molecular weight of 385.94 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 59442820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).