3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine

C9H12Cl2N4 — CID 537742

IUPAC3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine
SMILESCN1CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C9H12Cl2N4/c1-14-2-4-15(5-3-14)7-6-8(10)12-13-9(7)11/h6H,2-5H2,1H3
InChIKeyGHKSOFHIIBDQKN-UHFFFAOYSA-N
MW247.13 g/mol
LogP1.54
Rot. Bonds1

About 3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine

3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine (PubChem CID 537742) has the molecular formula C9H12Cl2N4 and a molecular weight of 247.13 g/mol. Its IUPAC name is 3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine
PubChem CID537742
Molecular FormulaC9H12Cl2N4
Molecular Weight247.13 g/mol
Exact Mass246.04
IUPAC Name3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine
SMILESCN1CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C9H12Cl2N4/c1-14-2-4-15(5-3-14)7-6-8(10)12-13-9(7)11/h6H,2-5H2,1H3
InChIKeyGHKSOFHIIBDQKN-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine (CID 537742) is 3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine is CN1CCN(c2cc(Cl)nnc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine?
The InChIKey is GHKSOFHIIBDQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4/c1-14-2-4-15(5-3-14)7-6-8(10)12-13-9(7)11/h6H,2-5H2,1H3.
What are the key properties of 3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine?
3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine has a molecular weight of 247.13 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 537742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).