3-piperazin-1-ylpyridazine

C8H12N4 — CID 11064965

IUPAC3-piperazin-1-ylpyridazine
SMILESc1cnnc(N2CCNCC2)c1
InChIInChI=1S/C8H12N4/c1-2-8(11-10-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
InChIKeyMIPXOMNITKFHDA-UHFFFAOYSA-N
MW164.21 g/mol
LogP-0.11
Rot. Bonds1

About 3-piperazin-1-ylpyridazine

3-piperazin-1-ylpyridazine (PubChem CID 11064965) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name3-piperazin-1-ylpyridazine
PubChem CID11064965
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-piperazin-1-ylpyridazine
SMILESc1cnnc(N2CCNCC2)c1
InChIInChI=1S/C8H12N4/c1-2-8(11-10-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
InChIKeyMIPXOMNITKFHDA-UHFFFAOYSA-N
XLogP-0.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylpyridazine?
The IUPAC name of 3-piperazin-1-ylpyridazine (CID 11064965) is 3-piperazin-1-ylpyridazine.
What is the SMILES notation for 3-piperazin-1-ylpyridazine?
The canonical SMILES for 3-piperazin-1-ylpyridazine is c1cnnc(N2CCNCC2)c1.
What is the InChIKey of 3-piperazin-1-ylpyridazine?
The InChIKey is MIPXOMNITKFHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-8(11-10-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2.
What are the key properties of 3-piperazin-1-ylpyridazine?
3-piperazin-1-ylpyridazine has a molecular weight of 164.21 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylpyridazine is sourced from PubChem (CID 11064965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).