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

C13H20N4O2 — CID 55042518

IUPAC(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(O)CC2)nn1
InChIInChI=1S/C13H20N4O2/c1-2-7-14-12-4-3-11(15-16-12)13(19)17-8-5-10(18)6-9-17/h3-4,10,18H,2,5-9H2,1H3,(H,14,16)
InChIKeyDDOGURZUFIITCD-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.90
Rot. Bonds4

About (4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone

(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone (PubChem CID 55042518) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
PubChem CID55042518
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(O)CC2)nn1
InChIInChI=1S/C13H20N4O2/c1-2-7-14-12-4-3-11(15-16-12)13(19)17-8-5-10(18)6-9-17/h3-4,10,18H,2,5-9H2,1H3,(H,14,16)
InChIKeyDDOGURZUFIITCD-UHFFFAOYSA-N
XLogP0.90
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62177839
(2,6-dimethylpiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62173358
[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 62165385
[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83046126
[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone
CID 62204390
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109110625
(3-methylmorpholin-4-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62169207
[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538464
[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113349
(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502396

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone (CID 55042518) is (4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone is CCCNc1ccc(C(=O)N2CCC(O)CC2)nn1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone?
The InChIKey is DDOGURZUFIITCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-7-14-12-4-3-11(15-16-12)13(19)17-8-5-10(18)6-9-17/h3-4,10,18H,2,5-9H2,1H3,(H,14,16).
What are the key properties of (4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone?
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 55042518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).