3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine

C15H16ClFN4 — CID 104513555

IUPAC3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine
SMILESFc1ccccc1N1CCN(Cc2ccc(Cl)nn2)CC1
InChIInChI=1S/C15H16ClFN4/c16-15-6-5-12(18-19-15)11-20-7-9-21(10-8-20)14-4-2-1-3-13(14)17/h1-6H,7-11H2
InChIKeyIVBDTUOJLNSBHG-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.59
Rot. Bonds3

About 3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine

3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine (PubChem CID 104513555) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine
PubChem CID104513555
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC Name3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine
SMILESFc1ccccc1N1CCN(Cc2ccc(Cl)nn2)CC1
InChIInChI=1S/C15H16ClFN4/c16-15-6-5-12(18-19-15)11-20-7-9-21(10-8-20)14-4-2-1-3-13(14)17/h1-6H,7-11H2
InChIKeyIVBDTUOJLNSBHG-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.59
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-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine?
The IUPAC name of 3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine (CID 104513555) is 3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine is Fc1ccccc1N1CCN(Cc2ccc(Cl)nn2)CC1.
What is the InChIKey of 3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine?
The InChIKey is IVBDTUOJLNSBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4/c16-15-6-5-12(18-19-15)11-20-7-9-21(10-8-20)14-4-2-1-3-13(14)17/h1-6H,7-11H2.
What are the key properties of 3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine?
3-chloro-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine has a molecular weight of 306.77 g/mol, XLogP of 2.59, 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-(2-fluorophenyl)piperazin-1-yl]methyl]pyridazine is sourced from PubChem (CID 104513555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).