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

C14H18N4O — CID 116973243

IUPACN'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(-c2ccc(N(C)CCN)nn2)cc1
InChIInChI=1S/C14H18N4O/c1-18(10-9-15)14-8-7-13(16-17-14)11-3-5-12(19-2)6-4-11/h3-8H,9-10,15H2,1-2H3
InChIKeyISGHBQPXGIDFBQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.55
Rot. Bonds5

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

N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine (PubChem CID 116973243) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
PubChem CID116973243
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(-c2ccc(N(C)CCN)nn2)cc1
InChIInChI=1S/C14H18N4O/c1-18(10-9-15)14-8-7-13(16-17-14)11-3-5-12(19-2)6-4-11/h3-8H,9-10,15H2,1-2H3
InChIKeyISGHBQPXGIDFBQ-UHFFFAOYSA-N
XLogP1.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973259
N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973250
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116973930
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
CID 116973666
N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63590609
3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine
CID 116973321
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 3227985
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
3-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971923

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine (CID 116973243) is N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine is COc1ccc(-c2ccc(N(C)CCN)nn2)cc1.
What is the InChIKey of N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
The InChIKey is ISGHBQPXGIDFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(10-9-15)14-8-7-13(16-17-14)11-3-5-12(19-2)6-4-11/h3-8H,9-10,15H2,1-2H3.
What are the key properties of N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 116973243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).