N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride

C15H22Cl2N4 — CID 6410652

IUPACN'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCCCN.Cl.Cl
InChIInChI=1S/C15H20N4.2ClH/c1-12-11-14(13-7-3-2-4-8-13)18-19-15(12)17-10-6-5-9-16;;/h2-4,7-8,11H,5-6,9-10,16H2,1H3,(H,17,19);2*1H
InChIKeyYUNISNGIGFBFJU-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.45
Rot. Bonds6

About N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride

N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride (PubChem CID 6410652) has the molecular formula C15H22Cl2N4 and a molecular weight of 329.27 g/mol. Its IUPAC name is N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride
PubChem CID6410652
Molecular FormulaC15H22Cl2N4
Molecular Weight329.27 g/mol
Exact Mass328.12
IUPAC NameN'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCCCN.Cl.Cl
InChIInChI=1S/C15H20N4.2ClH/c1-12-11-14(13-7-3-2-4-8-13)18-19-15(12)17-10-6-5-9-16;;/h2-4,7-8,11H,5-6,9-10,16H2,1H3,(H,17,19);2*1H
InChIKeyYUNISNGIGFBFJU-UHFFFAOYSA-N
XLogP3.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride?
The IUPAC name of N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride (CID 6410652) is N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride.
What is the SMILES notation for N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride?
The canonical SMILES for N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride is Cc1cc(-c2ccccc2)nnc1NCCCCN.Cl.Cl.
What is the InChIKey of N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride?
The InChIKey is YUNISNGIGFBFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.2ClH/c1-12-11-14(13-7-3-2-4-8-13)18-19-15(12)17-10-6-5-9-16;;/h2-4,7-8,11H,5-6,9-10,16H2,1H3,(H,17,19);2*1H.
What are the key properties of N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride?
N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride has a molecular weight of 329.27 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 6410652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).