5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one

C15H16N4O2 — CID 21245096

IUPAC5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one
SMILESO=C=C1CC=CC=C1c1c(N2CCNCC2)cn[nH]c1=O
InChIInChI=1S/C15H16N4O2/c20-10-11-3-1-2-4-12(11)14-13(9-17-18-15(14)21)19-7-5-16-6-8-19/h1-2,4,9,16H,3,5-8H2,(H,18,21)
InChIKeyBRXBBJVBVGYURR-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.28
Rot. Bonds2

About 5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one

5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one (PubChem CID 21245096) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one
PubChem CID21245096
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one
SMILESO=C=C1CC=CC=C1c1c(N2CCNCC2)cn[nH]c1=O
InChIInChI=1S/C15H16N4O2/c20-10-11-3-1-2-4-12(11)14-13(9-17-18-15(14)21)19-7-5-16-6-8-19/h1-2,4,9,16H,3,5-8H2,(H,18,21)
InChIKeyBRXBBJVBVGYURR-UHFFFAOYSA-N
XLogP0.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one (CID 21245096) is 5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one is O=C=C1CC=CC=C1c1c(N2CCNCC2)cn[nH]c1=O.
What is the InChIKey of 5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one?
The InChIKey is BRXBBJVBVGYURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-10-11-3-1-2-4-12(11)14-13(9-17-18-15(14)21)19-7-5-16-6-8-19/h1-2,4,9,16H,3,5-8H2,(H,18,21).
What are the key properties of 5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one?
5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one has a molecular weight of 284.32 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 21245096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).