3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine

C15H17ClN4 — CID 15124568

IUPAC3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine
SMILESCc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C15H17ClN4/c1-12-3-2-4-13(11-12)19-7-9-20(10-8-19)15-6-5-14(16)17-18-15/h2-6,11H,7-10H2,1H3
InChIKeyUZNICTGTVMYVEC-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.77
Rot. Bonds2

About 3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine

3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine (PubChem CID 15124568) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine
PubChem CID15124568
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine
SMILESCc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C15H17ClN4/c1-12-3-2-4-13(11-12)19-7-9-20(10-8-19)15-6-5-14(16)17-18-15/h2-6,11H,7-10H2,1H3
InChIKeyUZNICTGTVMYVEC-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.77
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-(3-methylphenyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine (CID 15124568) is 3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine is Cc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of 3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine?
The InChIKey is UZNICTGTVMYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-12-3-2-4-13(11-12)19-7-9-20(10-8-19)15-6-5-14(16)17-18-15/h2-6,11H,7-10H2,1H3.
What are the key properties of 3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine?
3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine has a molecular weight of 288.78 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 15124568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).