6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine

C17H12Cl2N4 — CID 139227329

IUPAC6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine
SMILESClc1ccc(/C=N/Nc2cc(-c3ccccc3)c(Cl)nn2)cc1
InChIInChI=1S/C17H12Cl2N4/c18-14-8-6-12(7-9-14)11-20-21-16-10-15(17(19)23-22-16)13-4-2-1-3-5-13/h1-11H,(H,21,22)/b20-11+
InChIKeyCQXWVYQDPZWTOE-RGVLZGJSSA-N
MW343.22 g/mol
LogP4.90
Rot. Bonds4

About 6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine

6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine (PubChem CID 139227329) has the molecular formula C17H12Cl2N4 and a molecular weight of 343.22 g/mol. Its IUPAC name is 6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine
PubChem CID139227329
Molecular FormulaC17H12Cl2N4
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine
SMILESClc1ccc(/C=N/Nc2cc(-c3ccccc3)c(Cl)nn2)cc1
InChIInChI=1S/C17H12Cl2N4/c18-14-8-6-12(7-9-14)11-20-21-16-10-15(17(19)23-22-16)13-4-2-1-3-5-13/h1-11H,(H,21,22)/b20-11+
InChIKeyCQXWVYQDPZWTOE-RGVLZGJSSA-N
XLogP4.90
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine (CID 139227329) is 6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine is Clc1ccc(/C=N/Nc2cc(-c3ccccc3)c(Cl)nn2)cc1.
What is the InChIKey of 6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine?
The InChIKey is CQXWVYQDPZWTOE-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H12Cl2N4/c18-14-8-6-12(7-9-14)11-20-21-16-10-15(17(19)23-22-16)13-4-2-1-3-5-13/h1-11H,(H,21,22)/b20-11+.
What are the key properties of 6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine?
6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine has a molecular weight of 343.22 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine is sourced from PubChem (CID 139227329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).