2-(4-aminobutyl)-6-methoxypyridazin-3-one

C9H15N3O2 — CID 105061500

IUPAC2-(4-aminobutyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCN)n1
InChIInChI=1S/C9H15N3O2/c1-14-8-4-5-9(13)12(11-8)7-3-2-6-10/h4-5H,2-3,6-7,10H2,1H3
InChIKeyMFVJCJLVINCREX-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.01
Rot. Bonds5

About 2-(4-aminobutyl)-6-methoxypyridazin-3-one

2-(4-aminobutyl)-6-methoxypyridazin-3-one (PubChem CID 105061500) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(4-aminobutyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(4-aminobutyl)-6-methoxypyridazin-3-one
PubChem CID105061500
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(4-aminobutyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCN)n1
InChIInChI=1S/C9H15N3O2/c1-14-8-4-5-9(13)12(11-8)7-3-2-6-10/h4-5H,2-3,6-7,10H2,1H3
InChIKeyMFVJCJLVINCREX-UHFFFAOYSA-N
XLogP-0.01
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.01
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

6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one
CID 105062199
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
2-[[3-(aminomethyl)-2-fluorophenyl]methyl]-6-methoxypyridazin-3-one
CID 107113943
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one
CID 105062130
6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
CID 105061828
2-[2-(2-ethoxyethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062166
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529
3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide
CID 105062241
1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one
CID 145350680

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(4-aminobutyl)-6-methoxypyridazin-3-one (CID 105061500) is 2-(4-aminobutyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(4-aminobutyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(4-aminobutyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCCN)n1.
What is the InChIKey of 2-(4-aminobutyl)-6-methoxypyridazin-3-one?
The InChIKey is MFVJCJLVINCREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-14-8-4-5-9(13)12(11-8)7-3-2-6-10/h4-5H,2-3,6-7,10H2,1H3.
What are the key properties of 2-(4-aminobutyl)-6-methoxypyridazin-3-one?
2-(4-aminobutyl)-6-methoxypyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.01, 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-methoxypyridazin-3-one is sourced from PubChem (CID 105061500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).