4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one

C10H14N2O3 — CID 103373279

IUPAC4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one
SMILESCOCCCC(=O)c1ccc(OC)nn1
InChIInChI=1S/C10H14N2O3/c1-14-7-3-4-9(13)8-5-6-10(15-2)12-11-8/h5-6H,3-4,7H2,1-2H3
InChIKeyMUUKQQNVEJRQIF-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.09
Rot. Bonds6

About 4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one

4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one (PubChem CID 103373279) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one
PubChem CID103373279
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one
SMILESCOCCCC(=O)c1ccc(OC)nn1
InChIInChI=1S/C10H14N2O3/c1-14-7-3-4-9(13)8-5-6-10(15-2)12-11-8/h5-6H,3-4,7H2,1-2H3
InChIKeyMUUKQQNVEJRQIF-UHFFFAOYSA-N
XLogP1.09
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
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 4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one?
The IUPAC name of 4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one (CID 103373279) is 4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one.
What is the SMILES notation for 4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one?
The canonical SMILES for 4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one is COCCCC(=O)c1ccc(OC)nn1.
What is the InChIKey of 4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one?
The InChIKey is MUUKQQNVEJRQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-7-3-4-9(13)8-5-6-10(15-2)12-11-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one?
4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one has a molecular weight of 210.23 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one is sourced from PubChem (CID 103373279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).