3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride

C8H13Cl3N4 — CID 43810498

IUPAC3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C8H11ClN4.2ClH/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13;;/h1-2,10H,3-6H2;2*1H
InChIKeyWXSMUDUTYCDGDM-UHFFFAOYSA-N
MW271.58 g/mol
LogP1.38
Rot. Bonds1

About 3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride

3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride (PubChem CID 43810498) has the molecular formula C8H13Cl3N4 and a molecular weight of 271.58 g/mol. Its IUPAC name is 3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride.

Molecular Properties

Compound Name3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride
PubChem CID43810498
Molecular FormulaC8H13Cl3N4
Molecular Weight271.58 g/mol
Exact Mass270.02
IUPAC Name3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C8H11ClN4.2ClH/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13;;/h1-2,10H,3-6H2;2*1H
InChIKeyWXSMUDUTYCDGDM-UHFFFAOYSA-N
XLogP1.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.58
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-6-(1-piperazinyl)pyridazine
CID 5294926
6-Chloro-N-methylpyridazin-3-amine
CID 588540
3-Chloro-6-(cyclohexylamino)pyridazine
CID 3221059
3-Chloro-6-(1-piperidinyl)pyridazine
CID 558392
(1R,4R)-2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 9990719
3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine
CID 7098865
1-(3-Chloro-6-pyridazinyl)-homopiperazine
CID 10104631
3-(Piperazin-1-yl)pyridazine
CID 11064965
3-Chloro-6-(1-pyrrolidinyl)pyridazine
CID 7020363
3-Chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine
CID 6418933
(1R,6S)-3-(6-chloro-pyridazin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane
CID 16099085
2-(6-Chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 18007882

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride?
The IUPAC name of 3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride (CID 43810498) is 3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride.
What is the SMILES notation for 3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride?
The canonical SMILES for 3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride is Cl.Cl.Clc1ccc(N2CCNCC2)nn1.
What is the InChIKey of 3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride?
The InChIKey is WXSMUDUTYCDGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4.2ClH/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13;;/h1-2,10H,3-6H2;2*1H.
What are the key properties of 3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride?
3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride has a molecular weight of 271.58 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-piperazin-1-ylpyridazine;dihydrochloride is sourced from PubChem (CID 43810498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).