1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one

C11H16N2O2 — CID 103373127

IUPAC1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one
SMILESCOc1ccc(C(=O)CCC(C)C)nn1
InChIInChI=1S/C11H16N2O2/c1-8(2)4-6-10(14)9-5-7-11(15-3)13-12-9/h5,7-8H,4,6H2,1-3H3
InChIKeyGQBBPYQDKIPVAR-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.10
Rot. Bonds5

About 1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one

1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one (PubChem CID 103373127) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one
PubChem CID103373127
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one
SMILESCOc1ccc(C(=O)CCC(C)C)nn1
InChIInChI=1S/C11H16N2O2/c1-8(2)4-6-10(14)9-5-7-11(15-3)13-12-9/h5,7-8H,4,6H2,1-3H3
InChIKeyGQBBPYQDKIPVAR-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one (CID 103373127) is 1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one is COc1ccc(C(=O)CCC(C)C)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one?
The InChIKey is GQBBPYQDKIPVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)4-6-10(14)9-5-7-11(15-3)13-12-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one?
1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one has a molecular weight of 208.26 g/mol, XLogP of 2.10, 5 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)-4-methylpentan-1-one is sourced from PubChem (CID 103373127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).