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

C10H16N4 — CID 167718168

IUPAC3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine
SMILESC[C@H]1CNCCN1Cc1cccnn1
InChIInChI=1S/C10H16N4/c1-9-7-11-5-6-14(9)8-10-3-2-4-12-13-10/h2-4,9,11H,5-8H2,1H3/t9-/m0/s1
InChIKeyWZVBRSOPHVMUEQ-VIFPVBQESA-N
MW192.27 g/mol
LogP0.27
Rot. Bonds2

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

3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine (PubChem CID 167718168) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine.

Molecular Properties

Compound Name3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine
PubChem CID167718168
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine
SMILESC[C@H]1CNCCN1Cc1cccnn1
InChIInChI=1S/C10H16N4/c1-9-7-11-5-6-14(9)8-10-3-2-4-12-13-10/h2-4,9,11H,5-8H2,1H3/t9-/m0/s1
InChIKeyWZVBRSOPHVMUEQ-VIFPVBQESA-N
XLogP0.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.27
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?
The IUPAC name of 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine (CID 167718168) is 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine.
What is the SMILES notation for 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine?
The canonical SMILES for 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine is C[C@H]1CNCCN1Cc1cccnn1.
What is the InChIKey of 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine?
The InChIKey is WZVBRSOPHVMUEQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4/c1-9-7-11-5-6-14(9)8-10-3-2-4-12-13-10/h2-4,9,11H,5-8H2,1H3/t9-/m0/s1.
What are the key properties of 3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine?
3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine has a molecular weight of 192.27 g/mol, XLogP of 0.27, 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 is sourced from PubChem (CID 167718168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).