5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one

C11H20N4O — CID 103223530

IUPAC5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCNCCNc1cnn(CC(C)C)c(=O)c1
InChIInChI=1S/C11H20N4O/c1-9(2)8-15-11(16)6-10(7-14-15)13-5-4-12-3/h6-7,9,12-13H,4-5,8H2,1-3H3
InChIKeyKPUUPPFEDCLFNX-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.53
Rot. Bonds6

About 5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one

5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 103223530) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID103223530
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCNCCNc1cnn(CC(C)C)c(=O)c1
InChIInChI=1S/C11H20N4O/c1-9(2)8-15-11(16)6-10(7-14-15)13-5-4-12-3/h6-7,9,12-13H,4-5,8H2,1-3H3
InChIKeyKPUUPPFEDCLFNX-UHFFFAOYSA-N
XLogP0.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616
5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103221159
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223738
5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
CID 107067032
5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103223693
N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223655
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103223627
2-[(3-chloro-4-pyridinyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223550
2-[(3-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223669

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one (CID 103223530) is 5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one is CNCCNc1cnn(CC(C)C)c(=O)c1.
What is the InChIKey of 5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is KPUUPPFEDCLFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)8-15-11(16)6-10(7-14-15)13-5-4-12-3/h6-7,9,12-13H,4-5,8H2,1-3H3.
What are the key properties of 5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 224.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 103223530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).