6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine

C17H12Cl2N4 — CID 110272746

IUPAC6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine
SMILESClc1cc(N/N=C/c2ccccc2Cl)c(-c2ccccc2)nn1
InChIInChI=1S/C17H12Cl2N4/c18-14-9-5-4-8-13(14)11-20-21-15-10-16(19)22-23-17(15)12-6-2-1-3-7-12/h1-11H,(H,21,22)/b20-11+
InChIKeyDQDKOPJBEUCZCC-RGVLZGJSSA-N
MW343.22 g/mol
LogP4.90
Rot. Bonds4

About 6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine

6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine (PubChem CID 110272746) has the molecular formula C17H12Cl2N4 and a molecular weight of 343.22 g/mol. Its IUPAC name is 6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine
PubChem CID110272746
Molecular FormulaC17H12Cl2N4
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine
SMILESClc1cc(N/N=C/c2ccccc2Cl)c(-c2ccccc2)nn1
InChIInChI=1S/C17H12Cl2N4/c18-14-9-5-4-8-13(14)11-20-21-15-10-16(19)22-23-17(15)12-6-2-1-3-7-12/h1-11H,(H,21,22)/b20-11+
InChIKeyDQDKOPJBEUCZCC-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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Related Compounds

3-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773796
N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 2841967
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
CID 4185428
N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 44537092
2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 135458790
4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]phenol
CID 4174590
N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine
CID 138486916
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 3753307
3-chloro-N-[(Z)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine
CID 6243010
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136672419
5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 71967341
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine?
The IUPAC name of 6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine (CID 110272746) is 6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine?
The canonical SMILES for 6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine is Clc1cc(N/N=C/c2ccccc2Cl)c(-c2ccccc2)nn1.
What is the InChIKey of 6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine?
The InChIKey is DQDKOPJBEUCZCC-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H12Cl2N4/c18-14-9-5-4-8-13(14)11-20-21-15-10-16(19)22-23-17(15)12-6-2-1-3-7-12/h1-11H,(H,21,22)/b20-11+.
What are the key properties of 6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine?
6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-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)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine is sourced from PubChem (CID 110272746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).