4-piperazin-1-ylpyridazine;dihydrochloride

C8H14Cl2N4 — CID 119106408

IUPAC4-piperazin-1-ylpyridazine;dihydrochloride
SMILESCl.Cl.c1cc(N2CCNCC2)cnn1
InChIInChI=1S/C8H12N4.2ClH/c1-2-10-11-7-8(1)12-5-3-9-4-6-12;;/h1-2,7,9H,3-6H2;2*1H
InChIKeyPNMHRTUHGVYWIN-UHFFFAOYSA-N
MW237.13 g/mol
LogP0.73
Rot. Bonds1

About 4-piperazin-1-ylpyridazine;dihydrochloride

4-piperazin-1-ylpyridazine;dihydrochloride (PubChem CID 119106408) has the molecular formula C8H14Cl2N4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 4-piperazin-1-ylpyridazine;dihydrochloride.

Molecular Properties

Compound Name4-piperazin-1-ylpyridazine;dihydrochloride
PubChem CID119106408
Molecular FormulaC8H14Cl2N4
Molecular Weight237.13 g/mol
Exact Mass236.06
IUPAC Name4-piperazin-1-ylpyridazine;dihydrochloride
SMILESCl.Cl.c1cc(N2CCNCC2)cnn1
InChIInChI=1S/C8H12N4.2ClH/c1-2-10-11-7-8(1)12-5-3-9-4-6-12;;/h1-2,7,9H,3-6H2;2*1H
InChIKeyPNMHRTUHGVYWIN-UHFFFAOYSA-N
XLogP0.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylpyridazine;dihydrochloride?
The IUPAC name of 4-piperazin-1-ylpyridazine;dihydrochloride (CID 119106408) is 4-piperazin-1-ylpyridazine;dihydrochloride.
What is the SMILES notation for 4-piperazin-1-ylpyridazine;dihydrochloride?
The canonical SMILES for 4-piperazin-1-ylpyridazine;dihydrochloride is Cl.Cl.c1cc(N2CCNCC2)cnn1.
What is the InChIKey of 4-piperazin-1-ylpyridazine;dihydrochloride?
The InChIKey is PNMHRTUHGVYWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.2ClH/c1-2-10-11-7-8(1)12-5-3-9-4-6-12;;/h1-2,7,9H,3-6H2;2*1H.
What are the key properties of 4-piperazin-1-ylpyridazine;dihydrochloride?
4-piperazin-1-ylpyridazine;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylpyridazine;dihydrochloride is sourced from PubChem (CID 119106408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).