5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one

C11H18N4O — CID 117105901

IUPAC5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one
SMILESCCN1CCCCC1c1cc(N)c(=O)[nH]n1
InChIInChI=1S/C11H18N4O/c1-2-15-6-4-3-5-10(15)9-7-8(12)11(16)14-13-9/h7,10H,2-6H2,1H3,(H2,12,13)(H,14,16)
InChIKeyCIEDEEMEMDXFLP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.90
Rot. Bonds2

About 5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one

5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one (PubChem CID 117105901) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one
PubChem CID117105901
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one
SMILESCCN1CCCCC1c1cc(N)c(=O)[nH]n1
InChIInChI=1S/C11H18N4O/c1-2-15-6-4-3-5-10(15)9-7-8(12)11(16)14-13-9/h7,10H,2-6H2,1H3,(H2,12,13)(H,14,16)
InChIKeyCIEDEEMEMDXFLP-UHFFFAOYSA-N
XLogP0.90
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-ethylpiperidin-2-yl)pyridazine-3,4-diamine
CID 117105899
5-amino-3-cyclopentyl-1H-pyridazin-6-one
CID 117127183
6-(1-ethylpiperidin-2-yl)pyridazin-3-amine
CID 117105891
5-amino-3-(thian-2-yl)-1H-pyridazin-6-one
CID 117105848
5-(1-ethylpyrrolidin-2-yl)-1H-pyrazole-3-carbaldehyde
CID 115092571
2-(1-ethylpiperidin-2-yl)anthracene-9,10-dione
CID 175271682
5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106006
5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one
CID 115077951
5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one
CID 117105458
2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol
CID 110254159
2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134358
3-(1-ethylpiperidin-2-yl)imidazo[1,5-a]pyridin-7-amine
CID 117144147

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one (CID 117105901) is 5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one is CCN1CCCCC1c1cc(N)c(=O)[nH]n1.
What is the InChIKey of 5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one?
The InChIKey is CIEDEEMEMDXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-15-6-4-3-5-10(15)9-7-8(12)11(16)14-13-9/h7,10H,2-6H2,1H3,(H2,12,13)(H,14,16).
What are the key properties of 5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one?
5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 117105901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).