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

C10H19Cl3N4 — CID 167727728

IUPAC3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride
SMILESC[C@H]1CNCCN1Cc1cccnn1.Cl.Cl.Cl
InChIInChI=1S/C10H16N4.3ClH/c1-9-7-11-5-6-14(9)8-10-3-2-4-12-13-10;;;/h2-4,9,11H,5-8H2,1H3;3*1H/t9-;;;/m0.../s1
InChIKeyCIRSDEJQRAAVSZ-DXYFNVQQSA-N
MW301.65 g/mol
LogP1.54
Rot. Bonds2

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

3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride (PubChem CID 167727728) has the molecular formula C10H19Cl3N4 and a molecular weight of 301.65 g/mol. Its IUPAC name is 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride.

Molecular Properties

Compound Name3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride
PubChem CID167727728
Molecular FormulaC10H19Cl3N4
Molecular Weight301.65 g/mol
Exact Mass300.07
IUPAC Name3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride
SMILESC[C@H]1CNCCN1Cc1cccnn1.Cl.Cl.Cl
InChIInChI=1S/C10H16N4.3ClH/c1-9-7-11-5-6-14(9)8-10-3-2-4-12-13-10;;;/h2-4,9,11H,5-8H2,1H3;3*1H/t9-;;;/m0.../s1
InChIKeyCIRSDEJQRAAVSZ-DXYFNVQQSA-N
XLogP1.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.65
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride?
The IUPAC name of 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride (CID 167727728) is 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride.
What is the SMILES notation for 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride?
The canonical SMILES for 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride is C[C@H]1CNCCN1Cc1cccnn1.Cl.Cl.Cl.
What is the InChIKey of 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride?
The InChIKey is CIRSDEJQRAAVSZ-DXYFNVQQSA-N. The full InChI is InChI=1S/C10H16N4.3ClH/c1-9-7-11-5-6-14(9)8-10-3-2-4-12-13-10;;;/h2-4,9,11H,5-8H2,1H3;3*1H/t9-;;;/m0.../s1.
What are the key properties of 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride?
3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride has a molecular weight of 301.65 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine;trihydrochloride is sourced from PubChem (CID 167727728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).