1-(6-methylpyridazin-3-yl)piperidin-4-one

C10H13N3O — CID 61314103

IUPAC1-(6-methylpyridazin-3-yl)piperidin-4-one
SMILESCc1ccc(N2CCC(=O)CC2)nn1
InChIInChI=1S/C10H13N3O/c1-8-2-3-10(12-11-8)13-6-4-9(14)5-7-13/h2-3H,4-7H2,1H3
InChIKeyXIGAYAOTLCRETR-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.95
Rot. Bonds1

About 1-(6-methylpyridazin-3-yl)piperidin-4-one

1-(6-methylpyridazin-3-yl)piperidin-4-one (PubChem CID 61314103) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)piperidin-4-one
PubChem CID61314103
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(6-methylpyridazin-3-yl)piperidin-4-one
SMILESCc1ccc(N2CCC(=O)CC2)nn1
InChIInChI=1S/C10H13N3O/c1-8-2-3-10(12-11-8)13-6-4-9(14)5-7-13/h2-3H,4-7H2,1H3
InChIKeyXIGAYAOTLCRETR-UHFFFAOYSA-N
XLogP0.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)piperidin-4-one?
The IUPAC name of 1-(6-methylpyridazin-3-yl)piperidin-4-one (CID 61314103) is 1-(6-methylpyridazin-3-yl)piperidin-4-one.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)piperidin-4-one?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)piperidin-4-one is Cc1ccc(N2CCC(=O)CC2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)piperidin-4-one?
The InChIKey is XIGAYAOTLCRETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-2-3-10(12-11-8)13-6-4-9(14)5-7-13/h2-3H,4-7H2,1H3.
What are the key properties of 1-(6-methylpyridazin-3-yl)piperidin-4-one?
1-(6-methylpyridazin-3-yl)piperidin-4-one has a molecular weight of 191.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)piperidin-4-one is sourced from PubChem (CID 61314103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).