3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one

C10H13N3O3 — CID 43415713

IUPAC3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCC(O)C1
InChIInChI=1S/C10H13N3O3/c14-7-2-1-5-13(6-7)10(16)8-3-4-9(15)12-11-8/h3-4,7,14H,1-2,5-6H2,(H,12,15)
InChIKeyICGLPTTVXVERDW-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.63
Rot. Bonds1

About 3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one

3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 43415713) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID43415713
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCC(O)C1
InChIInChI=1S/C10H13N3O3/c14-7-2-1-5-13(6-7)10(16)8-3-4-9(15)12-11-8/h3-4,7,14H,1-2,5-6H2,(H,12,15)
InChIKeyICGLPTTVXVERDW-UHFFFAOYSA-N
XLogP-0.63
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one (CID 43415713) is 3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCCC(O)C1.
What is the InChIKey of 3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is ICGLPTTVXVERDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-7-2-1-5-13(6-7)10(16)8-3-4-9(15)12-11-8/h3-4,7,14H,1-2,5-6H2,(H,12,15).
What are the key properties of 3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one?
3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 223.23 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypiperidine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 43415713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).