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

C9H14N4 — CID 94453251

IUPAC3-[(3S)-3-methylpiperazin-1-yl]pyridazine
SMILESC[C@H]1CN(c2cccnn2)CCN1
InChIInChI=1S/C9H14N4/c1-8-7-13(6-5-10-8)9-3-2-4-11-12-9/h2-4,8,10H,5-7H2,1H3/t8-/m0/s1
InChIKeyJWXWPXSAEJJGCT-QMMMGPOBSA-N
MW178.24 g/mol
LogP0.27
Rot. Bonds1

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

3-[(3S)-3-methylpiperazin-1-yl]pyridazine (PubChem CID 94453251) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[(3S)-3-methylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[(3S)-3-methylpiperazin-1-yl]pyridazine
PubChem CID94453251
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name3-[(3S)-3-methylpiperazin-1-yl]pyridazine
SMILESC[C@H]1CN(c2cccnn2)CCN1
InChIInChI=1S/C9H14N4/c1-8-7-13(6-5-10-8)9-3-2-4-11-12-9/h2-4,8,10H,5-7H2,1H3/t8-/m0/s1
InChIKeyJWXWPXSAEJJGCT-QMMMGPOBSA-N
XLogP0.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
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-[(3S)-3-methylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-[(3S)-3-methylpiperazin-1-yl]pyridazine (CID 94453251) is 3-[(3S)-3-methylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[(3S)-3-methylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-[(3S)-3-methylpiperazin-1-yl]pyridazine is C[C@H]1CN(c2cccnn2)CCN1.
What is the InChIKey of 3-[(3S)-3-methylpiperazin-1-yl]pyridazine?
The InChIKey is JWXWPXSAEJJGCT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N4/c1-8-7-13(6-5-10-8)9-3-2-4-11-12-9/h2-4,8,10H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of 3-[(3S)-3-methylpiperazin-1-yl]pyridazine?
3-[(3S)-3-methylpiperazin-1-yl]pyridazine has a molecular weight of 178.24 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 94453251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).