3-chloro-6-piperazin-1-ylpyridazine

C8H11ClN4 — CID 5294926

IUPAC3-chloro-6-piperazin-1-ylpyridazine
SMILESClc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C8H11ClN4/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
InChIKeyDXPPQFXYIZTQCV-UHFFFAOYSA-N
MW198.66 g/mol
LogP0.54
Rot. Bonds1

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

3-chloro-6-piperazin-1-ylpyridazine (PubChem CID 5294926) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 3-chloro-6-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name3-chloro-6-piperazin-1-ylpyridazine
PubChem CID5294926
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name3-chloro-6-piperazin-1-ylpyridazine
SMILESClc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C8H11ClN4/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
InChIKeyDXPPQFXYIZTQCV-UHFFFAOYSA-N
XLogP0.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(6-Chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 44590008

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-piperazin-1-ylpyridazine?
The IUPAC name of 3-chloro-6-piperazin-1-ylpyridazine (CID 5294926) is 3-chloro-6-piperazin-1-ylpyridazine.
What is the SMILES notation for 3-chloro-6-piperazin-1-ylpyridazine?
The canonical SMILES for 3-chloro-6-piperazin-1-ylpyridazine is Clc1ccc(N2CCNCC2)nn1.
What is the InChIKey of 3-chloro-6-piperazin-1-ylpyridazine?
The InChIKey is DXPPQFXYIZTQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2.
What are the key properties of 3-chloro-6-piperazin-1-ylpyridazine?
3-chloro-6-piperazin-1-ylpyridazine has a molecular weight of 198.66 g/mol, XLogP of 0.54, 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 is sourced from PubChem (CID 5294926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).