3-chloro-6-(4-propylpiperazin-1-yl)pyridazine

C11H17ClN4 — CID 43090208

IUPAC3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
SMILESCCCN1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H17ClN4/c1-2-5-15-6-8-16(9-7-15)11-4-3-10(12)13-14-11/h3-4H,2,5-9H2,1H3
InChIKeyLOOABDIJPHRKDJ-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.66
Rot. Bonds3

About 3-chloro-6-(4-propylpiperazin-1-yl)pyridazine

3-chloro-6-(4-propylpiperazin-1-yl)pyridazine (PubChem CID 43090208) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 3-chloro-6-(4-propylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
PubChem CID43090208
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
SMILESCCCN1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H17ClN4/c1-2-5-15-6-8-16(9-7-15)11-4-3-10(12)13-14-11/h3-4H,2,5-9H2,1H3
InChIKeyLOOABDIJPHRKDJ-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-propylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(4-propylpiperazin-1-yl)pyridazine (CID 43090208) is 3-chloro-6-(4-propylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-propylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(4-propylpiperazin-1-yl)pyridazine is CCCN1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 3-chloro-6-(4-propylpiperazin-1-yl)pyridazine?
The InChIKey is LOOABDIJPHRKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-2-5-15-6-8-16(9-7-15)11-4-3-10(12)13-14-11/h3-4H,2,5-9H2,1H3.
What are the key properties of 3-chloro-6-(4-propylpiperazin-1-yl)pyridazine?
3-chloro-6-(4-propylpiperazin-1-yl)pyridazine has a molecular weight of 240.74 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-propylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 43090208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).