[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

C13H20N4O — CID 62172058

IUPAC[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCCC(C)C2)nn1
InChIInChI=1S/C13H20N4O/c1-3-14-12-7-6-11(15-16-12)13(18)17-8-4-5-10(2)9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,16)
InChIKeyVCODXPTWOTZJHW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds3

About [6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 62172058) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID62172058
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCCC(C)C2)nn1
InChIInChI=1S/C13H20N4O/c1-3-14-12-7-6-11(15-16-12)13(18)17-8-4-5-10(2)9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,16)
InChIKeyVCODXPTWOTZJHW-UHFFFAOYSA-N
XLogP1.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 62172058) is [6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is CCNc1ccc(C(=O)N2CCCC(C)C2)nn1.
What is the InChIKey of [6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is VCODXPTWOTZJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-14-12-7-6-11(15-16-12)13(18)17-8-4-5-10(2)9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,16).
What are the key properties of [6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62172058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).