N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine

C13H12Cl2N4 — CID 6804613

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine
SMILESCc1ccc(N(C)N=Cc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C13H12Cl2N4/c1-9-3-6-13(18-17-9)19(2)16-8-10-4-5-11(14)7-12(10)15/h3-8H,1-2H3
InChIKeyRTZHPMFQRIGOIK-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.56
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine

N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine (PubChem CID 6804613) has the molecular formula C13H12Cl2N4 and a molecular weight of 295.17 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine
PubChem CID6804613
Molecular FormulaC13H12Cl2N4
Molecular Weight295.17 g/mol
Exact Mass294.04
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine
SMILESCc1ccc(N(C)N=Cc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C13H12Cl2N4/c1-9-3-6-13(18-17-9)19(2)16-8-10-4-5-11(14)7-12(10)15/h3-8H,1-2H3
InChIKeyRTZHPMFQRIGOIK-UHFFFAOYSA-N
XLogP3.56
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.56
H-Bond Donors ≤ 50
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 N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine (CID 6804613) is N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine is Cc1ccc(N(C)N=Cc2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine?
The InChIKey is RTZHPMFQRIGOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4/c1-9-3-6-13(18-17-9)19(2)16-8-10-4-5-11(14)7-12(10)15/h3-8H,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine?
N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine has a molecular weight of 295.17 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 6804613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).