1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one

C13H20N4O — CID 116974030

IUPAC1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one
SMILESCC(=O)CN(C)c1ccc(C2CCN(C)C2)nn1
InChIInChI=1S/C13H20N4O/c1-10(18)8-17(3)13-5-4-12(14-15-13)11-6-7-16(2)9-11/h4-5,11H,6-9H2,1-3H3
InChIKeyZMBAGIFKBXGPMH-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.92
Rot. Bonds4

About 1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one

1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one (PubChem CID 116974030) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one
PubChem CID116974030
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one
SMILESCC(=O)CN(C)c1ccc(C2CCN(C)C2)nn1
InChIInChI=1S/C13H20N4O/c1-10(18)8-17(3)13-5-4-12(14-15-13)11-6-7-16(2)9-11/h4-5,11H,6-9H2,1-3H3
InChIKeyZMBAGIFKBXGPMH-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one?
The IUPAC name of 1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one (CID 116974030) is 1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one.
What is the SMILES notation for 1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one?
The canonical SMILES for 1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one is CC(=O)CN(C)c1ccc(C2CCN(C)C2)nn1.
What is the InChIKey of 1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one?
The InChIKey is ZMBAGIFKBXGPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(18)8-17(3)13-5-4-12(14-15-13)11-6-7-16(2)9-11/h4-5,11H,6-9H2,1-3H3.
What are the key properties of 1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one?
1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one is sourced from PubChem (CID 116974030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).