piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone

C13H20N4O — CID 55042849

IUPACpiperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
SMILESCCCNc1ccc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C13H20N4O/c1-2-8-14-12-7-6-11(15-16-12)13(18)17-9-4-3-5-10-17/h6-7H,2-5,8-10H2,1H3,(H,14,16)
InChIKeyWMGZUIWGDLTOBW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.92
Rot. Bonds4

About piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone

piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone (PubChem CID 55042849) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
PubChem CID55042849
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Namepiperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
SMILESCCCNc1ccc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C13H20N4O/c1-2-8-14-12-7-6-11(15-16-12)13(18)17-9-4-3-5-10-17/h6-7H,2-5,8-10H2,1H3,(H,14,16)
InChIKeyWMGZUIWGDLTOBW-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62177839
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112658
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83046126
(2,6-dimethylpiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62173358
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone (CID 55042849) is piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone is CCCNc1ccc(C(=O)N2CCCCC2)nn1.
What is the InChIKey of piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone?
The InChIKey is WMGZUIWGDLTOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-8-14-12-7-6-11(15-16-12)13(18)17-9-4-3-5-10-17/h6-7H,2-5,8-10H2,1H3,(H,14,16).
What are the key properties of piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone?
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 55042849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).