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

C14H20Cl2N4 — CID 6410650

IUPACN'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCCN.Cl.Cl
InChIInChI=1S/C14H18N4.2ClH/c1-11-10-13(12-6-3-2-4-7-12)17-18-14(11)16-9-5-8-15;;/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,18);2*1H
InChIKeyYKRYWHZLNMDTRV-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.06
Rot. Bonds5

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

N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride (PubChem CID 6410650) has the molecular formula C14H20Cl2N4 and a molecular weight of 315.25 g/mol. Its IUPAC name is N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride
PubChem CID6410650
Molecular FormulaC14H20Cl2N4
Molecular Weight315.25 g/mol
Exact Mass314.11
IUPAC NameN'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCCN.Cl.Cl
InChIInChI=1S/C14H18N4.2ClH/c1-11-10-13(12-6-3-2-4-7-12)17-18-14(11)16-9-5-8-15;;/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,18);2*1H
InChIKeyYKRYWHZLNMDTRV-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.06
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)propane-1,3-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

Related Compounds

Minaprine
CID 4199
Minaprine Hydrochloride
CID 33254
Jnj-37822681
CID 16058752
4-Morpholineethanamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, monohydrochloride
CID 6410797
N-benzyl-N'-(3-methylphenyl)pyridazine-3,6-diamine
CID 6415561
4-methyl-N-(2-phenylethyl)phthalazin-1-amine
CID 6416438
N,N-Dimethyl-6-phenyl-3-pyridazinamine
CID 645991
[2-(1-Benzyl-piperidin-4-yl)-ethyl]-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
CID 10067904
3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine
CID 10354969
N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
CID 10713570
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-methyl-6-phenylpyridazin-3-amine
CID 11058147
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-isopropyl-6-phenylpyridazin-3-amine
CID 11825837

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride?
The IUPAC name of N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride (CID 6410650) is N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride is Cc1cc(-c2ccccc2)nnc1NCCCN.Cl.Cl.
What is the InChIKey of N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride?
The InChIKey is YKRYWHZLNMDTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4.2ClH/c1-11-10-13(12-6-3-2-4-7-12)17-18-14(11)16-9-5-8-15;;/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,18);2*1H.
What are the key properties of N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride?
N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine;dihydrochloride has a molecular weight of 315.25 g/mol, XLogP of 3.06, 5 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)propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 6410650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).