2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one

C10H18N4O — CID 13103556

IUPAC2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1ccc(=O)n(CCCCN)n1
InChIInChI=1S/C10H18N4O/c1-13(2)9-5-6-10(15)14(12-9)8-4-3-7-11/h5-6H,3-4,7-8,11H2,1-2H3
InChIKeyISSDMGDMIJRPRK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.05
Rot. Bonds5

About 2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one

2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one (PubChem CID 13103556) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one
PubChem CID13103556
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1ccc(=O)n(CCCCN)n1
InChIInChI=1S/C10H18N4O/c1-13(2)9-5-6-10(15)14(12-9)8-4-3-7-11/h5-6H,3-4,7-8,11H2,1-2H3
InChIKeyISSDMGDMIJRPRK-UHFFFAOYSA-N
XLogP0.05
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.05
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one (CID 13103556) is 2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one is CN(C)c1ccc(=O)n(CCCCN)n1.
What is the InChIKey of 2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one?
The InChIKey is ISSDMGDMIJRPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-13(2)9-5-6-10(15)14(12-9)8-4-3-7-11/h5-6H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one?
2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one has a molecular weight of 210.28 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-6-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 13103556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).