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

C14H14ClFN4 — CID 15124572

IUPAC3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine
SMILESFc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C14H14ClFN4/c15-13-4-5-14(18-17-13)20-8-6-19(7-9-20)12-3-1-2-11(16)10-12/h1-5,10H,6-9H2
InChIKeyDSHBTMRXOPUIEL-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.60
Rot. Bonds2

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

3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine (PubChem CID 15124572) has the molecular formula C14H14ClFN4 and a molecular weight of 292.75 g/mol. Its IUPAC name is 3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine
PubChem CID15124572
Molecular FormulaC14H14ClFN4
Molecular Weight292.75 g/mol
Exact Mass292.09
IUPAC Name3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine
SMILESFc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C14H14ClFN4/c15-13-4-5-14(18-17-13)20-8-6-19(7-9-20)12-3-1-2-11(16)10-12/h1-5,10H,6-9H2
InChIKeyDSHBTMRXOPUIEL-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.60
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-fluorophenyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine (CID 15124572) is 3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine is Fc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of 3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine?
The InChIKey is DSHBTMRXOPUIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4/c15-13-4-5-14(18-17-13)20-8-6-19(7-9-20)12-3-1-2-11(16)10-12/h1-5,10H,6-9H2.
What are the key properties of 3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine?
3-chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine has a molecular weight of 292.75 g/mol, XLogP of 2.60, 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-fluorophenyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 15124572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).