methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium

C16H20N3O2+ — CID 171653159

IUPACmethylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium
SMILESC=[O+]CCNCCc1cc(C)cc(Oc2cccnn2)c1
InChIInChI=1S/C16H20N3O2/c1-13-10-14(5-7-17-8-9-20-2)12-15(11-13)21-16-4-3-6-18-19-16/h3-4,6,10-12,17H,2,5,7-9H2,1H3/q+1
InChIKeyGFWYLMSLVYFRFE-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.07
Rot. Bonds8

About methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium

methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium (PubChem CID 171653159) has the molecular formula C16H20N3O2+ and a molecular weight of 286.36 g/mol. Its IUPAC name is methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium.

Molecular Properties

Compound Namemethylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium
PubChem CID171653159
Molecular FormulaC16H20N3O2+
Molecular Weight286.36 g/mol
Exact Mass286.16
IUPAC Namemethylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium
SMILESC=[O+]CCNCCc1cc(C)cc(Oc2cccnn2)c1
InChIInChI=1S/C16H20N3O2/c1-13-10-14(5-7-17-8-9-20-2)12-15(11-13)21-16-4-3-6-18-19-16/h3-4,6,10-12,17H,2,5,7-9H2,1H3/q+1
InChIKeyGFWYLMSLVYFRFE-UHFFFAOYSA-N
XLogP2.07
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
CID 171653167
2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
CID 171653205
3-[(5-methyl-3-pyridinyl)oxy]pyridazine
CID 134117099
3-naphthalen-2-yloxypyridazine
CID 91262966
3-(3,5-dibromophenoxy)pyridazine
CID 91184335
3-(6-bromonaphthalen-2-yl)oxypyridazine
CID 55079910
(2S)-2-(3-methyl-5-pyridazin-3-yloxyphenyl)morpholine
CID 174291013
3-(2,4,6-trimethylphenyl)pyridazine
CID 67379258
3-(4-chlorophenoxy)pyridazine
CID 54052757
1-[6-(3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 55058939
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
molecular hydrogen;2-[2-(3-pyridin-2-yloxyphenyl)ethylamino]ethanol
CID 171653208

Frequently Asked Questions

What is the IUPAC name of methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium?
The IUPAC name of methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium (CID 171653159) is methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium.
What is the SMILES notation for methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium?
The canonical SMILES for methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium is C=[O+]CCNCCc1cc(C)cc(Oc2cccnn2)c1.
What is the InChIKey of methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium?
The InChIKey is GFWYLMSLVYFRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N3O2/c1-13-10-14(5-7-17-8-9-20-2)12-15(11-13)21-16-4-3-6-18-19-16/h3-4,6,10-12,17H,2,5,7-9H2,1H3/q+1.
What are the key properties of methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium?
methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium has a molecular weight of 286.36 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium is sourced from PubChem (CID 171653159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).