3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride

C10H17ClN4 — CID 171779875

IUPAC3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride
SMILESCC1CNCCN1Cc1cccnn1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-9-7-11-5-6-14(9)8-10-3-2-4-12-13-10;/h2-4,9,11H,5-8H2,1H3;1H
InChIKeyPYYWGFIQEMONAG-UHFFFAOYSA-N
MW228.73 g/mol
LogP0.69
Rot. Bonds2

About 3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride

3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride (PubChem CID 171779875) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride
PubChem CID171779875
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride
SMILESCC1CNCCN1Cc1cccnn1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-9-7-11-5-6-14(9)8-10-3-2-4-12-13-10;/h2-4,9,11H,5-8H2,1H3;1H
InChIKeyPYYWGFIQEMONAG-UHFFFAOYSA-N
XLogP0.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyridazine;hydrochloride
CID 171779742
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
CID 130591920
1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine
CID 79255463
2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride
CID 120966664
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
8-[[(2R)-2-methylpiperazin-1-yl]methyl]quinoline
CID 82713629
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole
CID 82713453
N-ethyl-2-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine
CID 106896358
3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 82755125

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride?
The IUPAC name of 3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride (CID 171779875) is 3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride.
What is the SMILES notation for 3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride?
The canonical SMILES for 3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride is CC1CNCCN1Cc1cccnn1.Cl.
What is the InChIKey of 3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride?
The InChIKey is PYYWGFIQEMONAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.ClH/c1-9-7-11-5-6-14(9)8-10-3-2-4-12-13-10;/h2-4,9,11H,5-8H2,1H3;1H.
What are the key properties of 3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride?
3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride has a molecular weight of 228.73 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride is sourced from PubChem (CID 171779875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).