N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine

C15H20N4 — CID 116970734

IUPACN-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
SMILESCNCCCNc1ccc(-c2cccc(C)c2)nn1
InChIInChI=1S/C15H20N4/c1-12-5-3-6-13(11-12)14-7-8-15(19-18-14)17-10-4-9-16-2/h3,5-8,11,16H,4,9-10H2,1-2H3,(H,17,19)
InChIKeyHQICJAUMMNHPBP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.47
Rot. Bonds6

About N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine

N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine (PubChem CID 116970734) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
PubChem CID116970734
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
SMILESCNCCCNc1ccc(-c2cccc(C)c2)nn1
InChIInChI=1S/C15H20N4/c1-12-5-3-6-13(11-12)14-7-8-15(19-18-14)17-10-4-9-16-2/h3,5-8,11,16H,4,9-10H2,1-2H3,(H,17,19)
InChIKeyHQICJAUMMNHPBP-UHFFFAOYSA-N
XLogP2.47
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol
CID 116971327
N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970458
N-methyl-N'-[5-(3-methylphenyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 90935667
N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine
CID 116970489
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine
CID 123702165
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
3-[[6-(3-methoxyphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971959
N'-[6-(2,4-dimethylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191427
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970469
N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine
CID 116970742

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine (CID 116970734) is N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine is CNCCCNc1ccc(-c2cccc(C)c2)nn1.
What is the InChIKey of N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine?
The InChIKey is HQICJAUMMNHPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-5-3-6-13(11-12)14-7-8-15(19-18-14)17-10-4-9-16-2/h3,5-8,11,16H,4,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine?
N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine is sourced from PubChem (CID 116970734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).