2-(5-aminohexyl)-6-methoxypyridazin-3-one

C11H19N3O2 — CID 105061623

IUPAC2-(5-aminohexyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCC(C)N)n1
InChIInChI=1S/C11H19N3O2/c1-9(12)5-3-4-8-14-11(15)7-6-10(13-14)16-2/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyAPHISSNMSZJFDE-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.77
Rot. Bonds6

About 2-(5-aminohexyl)-6-methoxypyridazin-3-one

2-(5-aminohexyl)-6-methoxypyridazin-3-one (PubChem CID 105061623) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(5-aminohexyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(5-aminohexyl)-6-methoxypyridazin-3-one
PubChem CID105061623
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(5-aminohexyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCC(C)N)n1
InChIInChI=1S/C11H19N3O2/c1-9(12)5-3-4-8-14-11(15)7-6-10(13-14)16-2/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyAPHISSNMSZJFDE-UHFFFAOYSA-N
XLogP0.77
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.77
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

2-(5-Aminohexyl)pyridazin-3-one
CID 62850673
6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819960
6-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819961
6-Methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073143
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073144
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(4-Amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one
CID 105061503
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(3-Amino-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061509
2-(5-Aminopentyl)-6-methoxypyridazin-3-one
CID 105061512
2-[[1-(2-Aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one
CID 105061513
2-[2-(Ethylamino)propyl]-6-methoxypyridazin-3-one
CID 105061619

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminohexyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(5-aminohexyl)-6-methoxypyridazin-3-one (CID 105061623) is 2-(5-aminohexyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(5-aminohexyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(5-aminohexyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCCC(C)N)n1.
What is the InChIKey of 2-(5-aminohexyl)-6-methoxypyridazin-3-one?
The InChIKey is APHISSNMSZJFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(12)5-3-4-8-14-11(15)7-6-10(13-14)16-2/h6-7,9H,3-5,8,12H2,1-2H3.
What are the key properties of 2-(5-aminohexyl)-6-methoxypyridazin-3-one?
2-(5-aminohexyl)-6-methoxypyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminohexyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).