2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one

C15H28N4O — CID 106708468

IUPAC2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCCCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C15H28N4O/c1-5-18(4)13-10-14(20)19(17-11-13)9-7-6-8-15(2,3)12-16/h10-11H,5-9,12,16H2,1-4H3
InChIKeyGFZFUJIJLRUYHH-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.85
Rot. Bonds8

About 2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one

2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 106708468) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID106708468
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCCCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C15H28N4O/c1-5-18(4)13-10-14(20)19(17-11-13)9-7-6-8-15(2,3)12-16/h10-11H,5-9,12,16H2,1-4H3
InChIKeyGFZFUJIJLRUYHH-UHFFFAOYSA-N
XLogP1.85
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
2-[2-(Aminomethyl)prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
CID 103073049
2-[2-(Aminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one
CID 103073061
2-[2-(Methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one
CID 103073063
2-[2-(Aminomethyl)prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103073076
2-[2-(Aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 103073087
2-[2-(Aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103073090
2-[2-(Aminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 103073101
2-[2-(Methylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 103073103
5-Amino-2-heptylpyridazin-3-one
CID 103218166
5-Amino-2-hexylpyridazin-3-one
CID 103218167

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one (CID 106708468) is 2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CCCCC(C)(C)CN)c(=O)c1.
What is the InChIKey of 2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is GFZFUJIJLRUYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-18(4)13-10-14(20)19(17-11-13)9-7-6-8-15(2,3)12-16/h10-11H,5-9,12,16H2,1-4H3.
What are the key properties of 2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 280.42 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 106708468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).