3,6-dichloro-4-piperazin-1-ylpyridazine

C8H10Cl2N4 — CID 59606520

IUPAC3,6-dichloro-4-piperazin-1-ylpyridazine
SMILESClc1cc(N2CCNCC2)c(Cl)nn1
InChIInChI=1S/C8H10Cl2N4/c9-7-5-6(8(10)13-12-7)14-3-1-11-2-4-14/h5,11H,1-4H2
InChIKeyHMPILFPQBJZQDZ-UHFFFAOYSA-N
MW233.10 g/mol
LogP1.19
Rot. Bonds1

About 3,6-dichloro-4-piperazin-1-ylpyridazine

3,6-dichloro-4-piperazin-1-ylpyridazine (PubChem CID 59606520) has the molecular formula C8H10Cl2N4 and a molecular weight of 233.10 g/mol. Its IUPAC name is 3,6-dichloro-4-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-piperazin-1-ylpyridazine
PubChem CID59606520
Molecular FormulaC8H10Cl2N4
Molecular Weight233.10 g/mol
Exact Mass232.03
IUPAC Name3,6-dichloro-4-piperazin-1-ylpyridazine
SMILESClc1cc(N2CCNCC2)c(Cl)nn1
InChIInChI=1S/C8H10Cl2N4/c9-7-5-6(8(10)13-12-7)14-3-1-11-2-4-14/h5,11H,1-4H2
InChIKeyHMPILFPQBJZQDZ-UHFFFAOYSA-N
XLogP1.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-piperazin-1-ylpyridazine?
The IUPAC name of 3,6-dichloro-4-piperazin-1-ylpyridazine (CID 59606520) is 3,6-dichloro-4-piperazin-1-ylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-piperazin-1-ylpyridazine?
The canonical SMILES for 3,6-dichloro-4-piperazin-1-ylpyridazine is Clc1cc(N2CCNCC2)c(Cl)nn1.
What is the InChIKey of 3,6-dichloro-4-piperazin-1-ylpyridazine?
The InChIKey is HMPILFPQBJZQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4/c9-7-5-6(8(10)13-12-7)14-3-1-11-2-4-14/h5,11H,1-4H2.
What are the key properties of 3,6-dichloro-4-piperazin-1-ylpyridazine?
3,6-dichloro-4-piperazin-1-ylpyridazine has a molecular weight of 233.10 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-piperazin-1-ylpyridazine is sourced from PubChem (CID 59606520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).