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

C14H17BrN4O — CID 116970469

IUPACN'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
SMILESCNCCNc1ccc(-c2ccc(OC)c(Br)c2)nn1
InChIInChI=1S/C14H17BrN4O/c1-16-7-8-17-14-6-4-12(18-19-14)10-3-5-13(20-2)11(15)9-10/h3-6,9,16H,7-8H2,1-2H3,(H,17,19)
InChIKeyUEYYAPKZWPFSTG-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.55
Rot. Bonds6

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

N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine (PubChem CID 116970469) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
PubChem CID116970469
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC NameN'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
SMILESCNCCNc1ccc(-c2ccc(OC)c(Br)c2)nn1
InChIInChI=1S/C14H17BrN4O/c1-16-7-8-17-14-6-4-12(18-19-14)10-3-5-13(20-2)11(15)9-10/h3-6,9,16H,7-8H2,1-2H3,(H,17,19)
InChIKeyUEYYAPKZWPFSTG-UHFFFAOYSA-N
XLogP2.55
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol
CID 116971250
2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]acetonitrile
CID 116971838
N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970458
6-(3,4-dimethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203035
N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine
CID 116970489
6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
CID 6412777
N-ethyl-6-(6-methoxynaphthalen-2-yl)pyridazin-3-amine
CID 62785536
N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970734
3-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971923
N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine
CID 19385488
6-(3-bromo-4-fluorophenyl)-N-methylpyridazin-3-amine
CID 62914654
4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962099

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine (CID 116970469) is N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine is CNCCNc1ccc(-c2ccc(OC)c(Br)c2)nn1.
What is the InChIKey of N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine?
The InChIKey is UEYYAPKZWPFSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-16-7-8-17-14-6-4-12(18-19-14)10-3-5-13(20-2)11(15)9-10/h3-6,9,16H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine?
N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine has a molecular weight of 337.22 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 116970469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).