4-(4-methylpiperazin-1-yl)pyridazine

C9H14N4 — CID 54120831

IUPAC4-(4-methylpiperazin-1-yl)pyridazine
SMILESCN1CCN(c2ccnnc2)CC1
InChIInChI=1S/C9H14N4/c1-12-4-6-13(7-5-12)9-2-3-10-11-8-9/h2-3,8H,4-7H2,1H3
InChIKeyWGIKCBVCWYWWFA-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.23
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)pyridazine

4-(4-methylpiperazin-1-yl)pyridazine (PubChem CID 54120831) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)pyridazine
PubChem CID54120831
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-(4-methylpiperazin-1-yl)pyridazine
SMILESCN1CCN(c2ccnnc2)CC1
InChIInChI=1S/C9H14N4/c1-12-4-6-13(7-5-12)9-2-3-10-11-8-9/h2-3,8H,4-7H2,1H3
InChIKeyWGIKCBVCWYWWFA-UHFFFAOYSA-N
XLogP0.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)pyridazine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)pyridazine (CID 54120831) is 4-(4-methylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)pyridazine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)pyridazine is CN1CCN(c2ccnnc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)pyridazine?
The InChIKey is WGIKCBVCWYWWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-12-4-6-13(7-5-12)9-2-3-10-11-8-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)pyridazine?
4-(4-methylpiperazin-1-yl)pyridazine has a molecular weight of 178.24 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 54120831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).