1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one

C11H12N2O2 — CID 103373274

IUPAC1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one
SMILESCC#CCCC(=O)c1ccc(OC)nn1
InChIInChI=1S/C11H12N2O2/c1-3-4-5-6-10(14)9-7-8-11(15-2)13-12-9/h7-8H,5-6H2,1-2H3
InChIKeyWMKRXKVPHNTFPT-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.47
Rot. Bonds4

About 1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one

1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one (PubChem CID 103373274) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one
PubChem CID103373274
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one
SMILESCC#CCCC(=O)c1ccc(OC)nn1
InChIInChI=1S/C11H12N2O2/c1-3-4-5-6-10(14)9-7-8-11(15-2)13-12-9/h7-8H,5-6H2,1-2H3
InChIKeyWMKRXKVPHNTFPT-UHFFFAOYSA-N
XLogP1.47
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one (CID 103373274) is 1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one is CC#CCCC(=O)c1ccc(OC)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one?
The InChIKey is WMKRXKVPHNTFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-4-5-6-10(14)9-7-8-11(15-2)13-12-9/h7-8H,5-6H2,1-2H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one?
1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one has a molecular weight of 204.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)hex-4-yn-1-one is sourced from PubChem (CID 103373274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).