N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine

C21H21FN6 — CID 170856365

IUPACN-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine
SMILESFc1cccc(/C=N/Nc2ccc(N3CCN(c4ccccc4)CC3)nn2)c1
InChIInChI=1S/C21H21FN6/c22-18-6-4-5-17(15-18)16-23-24-20-9-10-21(26-25-20)28-13-11-27(12-14-28)19-7-2-1-3-8-19/h1-10,15-16H,11-14H2,(H,24,25)/b23-16+
InChIKeyDQQLTYURSRFYGL-XQNSMLJCSA-N
MW376.44 g/mol
LogP3.39
Rot. Bonds5

About N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine

N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine (PubChem CID 170856365) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine
PubChem CID170856365
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC NameN-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine
SMILESFc1cccc(/C=N/Nc2ccc(N3CCN(c4ccccc4)CC3)nn2)c1
InChIInChI=1S/C21H21FN6/c22-18-6-4-5-17(15-18)16-23-24-20-9-10-21(26-25-20)28-13-11-27(12-14-28)19-7-2-1-3-8-19/h1-10,15-16H,11-14H2,(H,24,25)/b23-16+
InChIKeyDQQLTYURSRFYGL-XQNSMLJCSA-N
XLogP3.39
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine?
The IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine (CID 170856365) is N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine?
The canonical SMILES for N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine is Fc1cccc(/C=N/Nc2ccc(N3CCN(c4ccccc4)CC3)nn2)c1.
What is the InChIKey of N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine?
The InChIKey is DQQLTYURSRFYGL-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H21FN6/c22-18-6-4-5-17(15-18)16-23-24-20-9-10-21(26-25-20)28-13-11-27(12-14-28)19-7-2-1-3-8-19/h1-10,15-16H,11-14H2,(H,24,25)/b23-16+.
What are the key properties of N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine?
N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine has a molecular weight of 376.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-phenylpiperazin-1-yl)pyridazin-3-amine is sourced from PubChem (CID 170856365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).