N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine

C22H17ClN4 — CID 53412025

IUPACN-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine
SMILESNc1ccc(-c2ccc(Nc3ccc(-c4ccc(Cl)cc4)nn3)cc2)cc1
InChIInChI=1S/C22H17ClN4/c23-18-7-1-17(2-8-18)21-13-14-22(27-26-21)25-20-11-5-16(6-12-20)15-3-9-19(24)10-4-15/h1-14H,24H2,(H,25,27)
InChIKeyABGCSSPCKSVMHI-UHFFFAOYSA-N
MW372.86 g/mol
LogP5.79
Rot. Bonds4

About N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine

N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine (PubChem CID 53412025) has the molecular formula C22H17ClN4 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine
PubChem CID53412025
Molecular FormulaC22H17ClN4
Molecular Weight372.86 g/mol
Exact Mass372.11
IUPAC NameN-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine
SMILESNc1ccc(-c2ccc(Nc3ccc(-c4ccc(Cl)cc4)nn3)cc2)cc1
InChIInChI=1S/C22H17ClN4/c23-18-7-1-17(2-8-18)21-13-14-22(27-26-21)25-20-11-5-16(6-12-20)15-3-9-19(24)10-4-15/h1-14H,24H2,(H,25,27)
InChIKeyABGCSSPCKSVMHI-UHFFFAOYSA-N
XLogP5.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine?
The IUPAC name of N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine (CID 53412025) is N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine.
What is the SMILES notation for N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine?
The canonical SMILES for N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine is Nc1ccc(-c2ccc(Nc3ccc(-c4ccc(Cl)cc4)nn3)cc2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine?
The InChIKey is ABGCSSPCKSVMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4/c23-18-7-1-17(2-8-18)21-13-14-22(27-26-21)25-20-11-5-16(6-12-20)15-3-9-19(24)10-4-15/h1-14H,24H2,(H,25,27).
What are the key properties of N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine?
N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine has a molecular weight of 372.86 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)phenyl]-6-(4-chlorophenyl)pyridazin-3-amine is sourced from PubChem (CID 53412025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).