2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one

C10H17N3O2 — CID 103218482

IUPAC2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCCCOC)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-11-9-7-10(14)13(12-8-9)5-3-4-6-15-2/h7-8,11H,3-6H2,1-2H3
InChIKeyJLKTVCZFEJCPGE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.71
Rot. Bonds6

About 2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one

2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one (PubChem CID 103218482) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one
PubChem CID103218482
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCCCOC)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-11-9-7-10(14)13(12-8-9)5-3-4-6-15-2/h7-8,11H,3-6H2,1-2H3
InChIKeyJLKTVCZFEJCPGE-UHFFFAOYSA-N
XLogP0.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.71
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-(Methylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103218742
5-(Ethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219178
5-(Propan-2-ylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219562
5-(Propylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220334
5-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
5-(2-Methylpropylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221686
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
5-Amino-2-(4-hydroxybutyl)pyridazin-3-one
CID 10012594
2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103073071
5-[2-Methoxyethyl(methyl)amino]-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073073
5-Amino-2-(4-methoxybutyl)pyridazin-3-one
CID 103218204

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one (CID 103218482) is 2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(CCCCOC)c(=O)c1.
What is the InChIKey of 2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is JLKTVCZFEJCPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-11-9-7-10(14)13(12-8-9)5-3-4-6-15-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one?
2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).