3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine

C14H14Cl2N4 — CID 3124956

IUPAC3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine
SMILESClc1cc(N2CCN(c3ccccc3)CC2)c(Cl)nn1
InChIInChI=1S/C14H14Cl2N4/c15-13-10-12(14(16)18-17-13)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyVNOJIPJLEGZLPD-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.11
Rot. Bonds2

About 3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine

3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine (PubChem CID 3124956) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine
PubChem CID3124956
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine
SMILESClc1cc(N2CCN(c3ccccc3)CC2)c(Cl)nn1
InChIInChI=1S/C14H14Cl2N4/c15-13-10-12(14(16)18-17-13)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyVNOJIPJLEGZLPD-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine (CID 3124956) is 3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine is Clc1cc(N2CCN(c3ccccc3)CC2)c(Cl)nn1.
What is the InChIKey of 3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine?
The InChIKey is VNOJIPJLEGZLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c15-13-10-12(14(16)18-17-13)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2.
What are the key properties of 3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine?
3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine has a molecular weight of 309.20 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(4-phenylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 3124956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).