N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine

C15H20N4 — CID 116970458

IUPACN'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
SMILESCNCCNc1ccc(-c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C15H20N4/c1-11-4-5-13(10-12(11)2)14-6-7-15(19-18-14)17-9-8-16-3/h4-7,10,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyLAZVIPUDGXLXOV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.39
Rot. Bonds5

About N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine

N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine (PubChem CID 116970458) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
PubChem CID116970458
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
SMILESCNCCNc1ccc(-c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C15H20N4/c1-11-4-5-13(10-12(11)2)14-6-7-15(19-18-14)17-9-8-16-3/h4-7,10,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyLAZVIPUDGXLXOV-UHFFFAOYSA-N
XLogP2.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.39
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

N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970469
N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine
CID 116970489
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 82288036
N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970734
3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971924
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970403
2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol
CID 116971250
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol
CID 116971327
6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
CID 62201604
2-[[6-(2,4-dimethylphenyl)pyridazin-3-yl]amino]ethanethiol
CID 116971594
6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
CID 62202156
N-ethyl-6-(6-methoxynaphthalen-2-yl)pyridazin-3-amine
CID 62785536

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine (CID 116970458) is N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine is CNCCNc1ccc(-c2ccc(C)c(C)c2)nn1.
What is the InChIKey of N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine?
The InChIKey is LAZVIPUDGXLXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-4-5-13(10-12(11)2)14-6-7-15(19-18-14)17-9-8-16-3/h4-7,10,16H,8-9H2,1-3H3,(H,17,19).
What are the key properties of N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine?
N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 116970458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).