2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C15H28N4O2 — CID 114393723

IUPAC2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CCCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C15H28N4O2/c1-15(2,12-16)6-5-7-19-14(20)10-13(11-17-19)18(3)8-9-21-4/h10-11H,5-9,12,16H2,1-4H3
InChIKeyHTMZRRPCFXMBSG-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.09
Rot. Bonds9

About 2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 114393723) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID114393723
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CCCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C15H28N4O2/c1-15(2,12-16)6-5-7-19-14(20)10-13(11-17-19)18(3)8-9-21-4/h10-11H,5-9,12,16H2,1-4H3
InChIKeyHTMZRRPCFXMBSG-UHFFFAOYSA-N
XLogP1.09
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanenitrile
CID 114395684
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanethioamide
CID 114395807
2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396847
6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
CID 114393962
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide
CID 114398501
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760
2-(2-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394768
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
2-[3-(cyclopropylamino)propyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394769
2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397564
2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394754

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 114393723) is 2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(CCCC(C)(C)CN)c(=O)c1.
What is the InChIKey of 2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is HTMZRRPCFXMBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-15(2,12-16)6-5-7-19-14(20)10-13(11-17-19)18(3)8-9-21-4/h10-11H,5-9,12,16H2,1-4H3.
What are the key properties of 2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 296.42 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).