3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one

C14H15N5O3 — CID 110745900

IUPAC3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H15N5O3/c20-12-3-1-10(9-15-12)18-5-7-19(8-6-18)14(22)11-2-4-13(21)17-16-11/h1-4,9H,5-8H2,(H,15,20)(H,17,21)
InChIKeyLPUWOYPVOQCCNU-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.58
Rot. Bonds2

About 3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110745900) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110745900
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H15N5O3/c20-12-3-1-10(9-15-12)18-5-7-19(8-6-18)14(22)11-2-4-13(21)17-16-11/h1-4,9H,5-8H2,(H,15,20)(H,17,21)
InChIKeyLPUWOYPVOQCCNU-UHFFFAOYSA-N
XLogP-0.58
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one
CID 110735921
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90506344
3-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108533431
5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735922
3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110665089
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735948
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
3-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110816351

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 110745900) is 3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCN(c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is LPUWOYPVOQCCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c20-12-3-1-10(9-15-12)18-5-7-19(8-6-18)14(22)11-2-4-13(21)17-16-11/h1-4,9H,5-8H2,(H,15,20)(H,17,21).
What are the key properties of 3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 301.31 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110745900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).