3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride

C9H14Cl2N4 — CID 71639868

IUPAC3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride
SMILESCl.Clc1ccc(CN2CCNCC2)nn1
InChIInChI=1S/C9H13ClN4.ClH/c10-9-2-1-8(12-13-9)7-14-5-3-11-4-6-14;/h1-2,11H,3-7H2;1H
InChIKeyPYHOGGZFFJAEPC-UHFFFAOYSA-N
MW249.14 g/mol
LogP0.96
Rot. Bonds2

About 3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride

3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride (PubChem CID 71639868) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride.

Molecular Properties

Compound Name3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride
PubChem CID71639868
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride
SMILESCl.Clc1ccc(CN2CCNCC2)nn1
InChIInChI=1S/C9H13ClN4.ClH/c10-9-2-1-8(12-13-9)7-14-5-3-11-4-6-14;/h1-2,11H,3-7H2;1H
InChIKeyPYHOGGZFFJAEPC-UHFFFAOYSA-N
XLogP0.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
4-[(6-chloropyridazin-3-yl)methyl]morpholine
CID 104513452
3-methyl-6-(piperazin-1-ylmethyl)pyridazine
CID 82604790
3-[(4-benzylpiperazin-1-yl)methyl]-6-chloropyridazine
CID 104513474
3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine
CID 59543422
3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine
CID 82509724
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 71646339
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
CID 102956998
(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine
CID 71643836
1-[4-[(6-chloropyridazin-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 113421318

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride?
The IUPAC name of 3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride (CID 71639868) is 3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride.
What is the SMILES notation for 3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride?
The canonical SMILES for 3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride is Cl.Clc1ccc(CN2CCNCC2)nn1.
What is the InChIKey of 3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride?
The InChIKey is PYHOGGZFFJAEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4.ClH/c10-9-2-1-8(12-13-9)7-14-5-3-11-4-6-14;/h1-2,11H,3-7H2;1H.
What are the key properties of 3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride?
3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride has a molecular weight of 249.14 g/mol, XLogP of 0.96, 2 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-ylmethyl)pyridazine;hydrochloride is sourced from PubChem (CID 71639868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).