2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one

C18H25N3O3 — CID 11416279

IUPAC2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCCCCCN)n2)cc1OC
InChIInChI=1S/C18H25N3O3/c1-23-16-9-7-14(13-17(16)24-2)15-8-10-18(22)21(20-15)12-6-4-3-5-11-19/h7-10,13H,3-6,11-12,19H2,1-2H3
InChIKeyNMKWYXGLIWTXRG-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.45
Rot. Bonds9

About 2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one

2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one (PubChem CID 11416279) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one
PubChem CID11416279
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCCCCCN)n2)cc1OC
InChIInChI=1S/C18H25N3O3/c1-23-16-9-7-14(13-17(16)24-2)15-8-10-18(22)21(20-15)12-6-4-3-5-11-19/h7-10,13H,3-6,11-12,19H2,1-2H3
InChIKeyNMKWYXGLIWTXRG-UHFFFAOYSA-N
XLogP2.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Zardaverine
CID 5723
Rubemamine
CID 1042026
3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-2-propenamide
CID 1042025
2-Cycloheptyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 10068486
2-Cyclooctyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11058378
2-Cyclohexyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11089927
2-Cyclopentyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11824398
(4aS,8aR)-2-cycloheptyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 24841825
(2E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 707185
N-(2-(3,4-Dimethoxyphenyl)ethyl)-3,4-dihydro-3-methyl-4-oxo-1-phthalazineacetamide
CID 1072359
2-Benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
CID 10980260
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one (CID 11416279) is 2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CCCCCCN)n2)cc1OC.
What is the InChIKey of 2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is NMKWYXGLIWTXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-23-16-9-7-14(13-17(16)24-2)15-8-10-18(22)21(20-15)12-6-4-3-5-11-19/h7-10,13H,3-6,11-12,19H2,1-2H3.
What are the key properties of 2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 331.42 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexyl)-6-(3,4-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 11416279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).