3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one

C8H6N4O2 — CID 59140933

IUPAC3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(=O)[nH]n2)n[nH]1
InChIInChI=1S/C8H6N4O2/c13-7-3-1-5(9-11-7)6-2-4-8(14)12-10-6/h1-4H,(H,11,13)(H,12,14)
InChIKeyNSALBDWEUHBUHP-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.48
Rot. Bonds1

About 3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one

3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one (PubChem CID 59140933) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one
PubChem CID59140933
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(=O)[nH]n2)n[nH]1
InChIInChI=1S/C8H6N4O2/c13-7-3-1-5(9-11-7)6-2-4-8(14)12-10-6/h1-4H,(H,11,13)(H,12,14)
InChIKeyNSALBDWEUHBUHP-UHFFFAOYSA-N
XLogP-0.48
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one (CID 59140933) is 3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one is O=c1ccc(-c2ccc(=O)[nH]n2)n[nH]1.
What is the InChIKey of 3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one?
The InChIKey is NSALBDWEUHBUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-7-3-1-5(9-11-7)6-2-4-8(14)12-10-6/h1-4H,(H,11,13)(H,12,14).
What are the key properties of 3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one?
3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one has a molecular weight of 190.16 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyridazin-3-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 59140933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).