3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine

C11H17ClN4 — CID 63271412

IUPAC3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine
SMILESCc1c(Cl)nnc(N2CCN(C)CC2)c1C
InChIInChI=1S/C11H17ClN4/c1-8-9(2)11(14-13-10(8)12)16-6-4-15(3)5-7-16/h4-7H2,1-3H3
InChIKeyHQUHXVCYXLDXPW-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.50
Rot. Bonds1

About 3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine

3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine (PubChem CID 63271412) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine
PubChem CID63271412
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine
SMILESCc1c(Cl)nnc(N2CCN(C)CC2)c1C
InChIInChI=1S/C11H17ClN4/c1-8-9(2)11(14-13-10(8)12)16-6-4-15(3)5-7-16/h4-7H2,1-3H3
InChIKeyHQUHXVCYXLDXPW-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine (CID 63271412) is 3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine is Cc1c(Cl)nnc(N2CCN(C)CC2)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine?
The InChIKey is HQUHXVCYXLDXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-8-9(2)11(14-13-10(8)12)16-6-4-15(3)5-7-16/h4-7H2,1-3H3.
What are the key properties of 3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine?
3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine has a molecular weight of 240.74 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 63271412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).