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

C10H15N3O2 — CID 114393218

IUPAC4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESCC1(O)CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C10H15N3O2/c1-10(15)3-2-4-13(7-10)8-5-9(14)12-11-6-8/h5-6,15H,2-4,7H2,1H3,(H,12,14)
InChIKeyBDUPATRJPSLLND-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.12
Rot. Bonds1

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

4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one (PubChem CID 114393218) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one
PubChem CID114393218
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESCC1(O)CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C10H15N3O2/c1-10(15)3-2-4-13(7-10)8-5-9(14)12-11-6-8/h5-6,15H,2-4,7H2,1H3,(H,12,14)
InChIKeyBDUPATRJPSLLND-UHFFFAOYSA-N
XLogP0.12
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 178044688
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol
CID 115872482
4-(4-propylazepan-1-yl)-1H-pyridazin-6-one
CID 114393178
4-[4-[[(3R)-1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 95191684
1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 103878214
5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 115871405
1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 114393008
1-(5-chloro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 115871312
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 53203769
N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203801
1-(3-iodo-4-nitrophenyl)-3-methylpiperidin-3-ol
CID 113343726

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one (CID 114393218) is 4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one is CC1(O)CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is BDUPATRJPSLLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(15)3-2-4-13(7-10)8-5-9(14)12-11-6-8/h5-6,15H,2-4,7H2,1H3,(H,12,14).
What are the key properties of 4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one?
4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 114393218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).