3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one

C10H15N3O2 — CID 70846019

IUPAC3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
SMILESCN1CCC(Oc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H15N3O2/c1-13-6-4-8(5-7-13)15-10-3-2-9(14)11-12-10/h2-3,8H,4-7H2,1H3,(H,11,14)
InChIKeyZBZAZWBARCGOTR-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.24
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one

3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one (PubChem CID 70846019) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
PubChem CID70846019
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
SMILESCN1CCC(Oc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H15N3O2/c1-13-6-4-8(5-7-13)15-10-3-2-9(14)11-12-10/h2-3,8H,4-7H2,1H3,(H,11,14)
InChIKeyZBZAZWBARCGOTR-UHFFFAOYSA-N
XLogP0.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
CID 103241488
3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 91627317
CID 123670309
CID 123670309
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine
CID 80873922
3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
CID 24993806
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
6-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine
CID 126695915
N-methyl-6-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 45097725
3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyridazine
CID 126953957
3-(1-methylpiperidin-4-yl)oxy-6,9,10,11,12,12a-hexahydro-5H-azepino[2,1-f][1,6]naphthyridin-8-one
CID 143871011
N-methyl-2-(1-methylpiperidin-4-yl)oxypyridin-4-amine;dihydrochloride
CID 66688370

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one (CID 70846019) is 3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one is CN1CCC(Oc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one?
The InChIKey is ZBZAZWBARCGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-6-4-8(5-7-13)15-10-3-2-9(14)11-12-10/h2-3,8H,4-7H2,1H3,(H,11,14).
What are the key properties of 3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one?
3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one is sourced from PubChem (CID 70846019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).