2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one

C15H20N4O2 — CID 114393508

IUPAC2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCCOc2ccc(N)cc2)c(=O)c1
InChIInChI=1S/C15H20N4O2/c1-18(2)13-10-15(20)19(17-11-13)8-3-9-21-14-6-4-12(16)5-7-14/h4-7,10-11H,3,8-9,16H2,1-2H3
InChIKeyZJRLVIMWCJEURF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.36
Rot. Bonds6

About 2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one

2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 114393508) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID114393508
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCCOc2ccc(N)cc2)c(=O)c1
InChIInChI=1S/C15H20N4O2/c1-18(2)13-10-15(20)19(17-11-13)8-3-9-21-14-6-4-12(16)5-7-14/h4-7,10-11H,3,8-9,16H2,1-2H3
InChIKeyZJRLVIMWCJEURF-UHFFFAOYSA-N
XLogP1.36
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114393487
2-[3-(3-aminophenoxy)propyl]-5-methylpyridazin-3-one
CID 106548303
ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
CID 114393840
5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one
CID 103223467
2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393496
2-[(4-amino-2-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393483
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
CID 28871573
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
2-[2-(4-bromophenoxy)ethyl]-5-methylpyridazin-3-one
CID 106548893

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one (CID 114393508) is 2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CCCOc2ccc(N)cc2)c(=O)c1.
What is the InChIKey of 2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is ZJRLVIMWCJEURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18(2)13-10-15(20)19(17-11-13)8-3-9-21-14-6-4-12(16)5-7-14/h4-7,10-11H,3,8-9,16H2,1-2H3.
What are the key properties of 2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one?
2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114393508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).