6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one

C12H21N3O2 — CID 105061622

IUPAC6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one
SMILESCNC(C)CCCCn1nc(OC)ccc1=O
InChIInChI=1S/C12H21N3O2/c1-10(13-2)6-4-5-9-15-12(16)8-7-11(14-15)17-3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyIYRCTHXKLHDXSN-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.03
Rot. Bonds7

About 6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one

6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one (PubChem CID 105061622) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one
PubChem CID105061622
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one
SMILESCNC(C)CCCCn1nc(OC)ccc1=O
InChIInChI=1S/C12H21N3O2/c1-10(13-2)6-4-5-9-15-12(16)8-7-11(14-15)17-3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyIYRCTHXKLHDXSN-UHFFFAOYSA-N
XLogP1.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.03
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 6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one (CID 105061622) is 6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one is CNC(C)CCCCn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one?
The InChIKey is IYRCTHXKLHDXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(13-2)6-4-5-9-15-12(16)8-7-11(14-15)17-3/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of 6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one?
6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one is sourced from PubChem (CID 105061622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).