1,2-dimethyl-6-oxopyridazin-2-ium-4-olate

C6H8N2O2 — CID 122229068

IUPAC1,2-dimethyl-6-oxopyridazin-2-ium-4-olate
SMILESCn1c(=O)cc([O-])c[n+]1C
InChIInChI=1S/C6H8N2O2/c1-7-4-5(9)3-6(10)8(7)2/h3-4H,1-2H3
InChIKeyJMAALRYRAXGLKF-UHFFFAOYSA-N
MW140.14 g/mol
LogP-1.72
Rot. Bonds

About 1,2-dimethyl-6-oxopyridazin-2-ium-4-olate

1,2-dimethyl-6-oxopyridazin-2-ium-4-olate (PubChem CID 122229068) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1,2-dimethyl-6-oxopyridazin-2-ium-4-olate.

Molecular Properties

Compound Name1,2-dimethyl-6-oxopyridazin-2-ium-4-olate
PubChem CID122229068
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1,2-dimethyl-6-oxopyridazin-2-ium-4-olate
SMILESCn1c(=O)cc([O-])c[n+]1C
InChIInChI=1S/C6H8N2O2/c1-7-4-5(9)3-6(10)8(7)2/h3-4H,1-2H3
InChIKeyJMAALRYRAXGLKF-UHFFFAOYSA-N
XLogP-1.72
TPSA48.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-oxopyridazin-2-ium-4-olate?
The IUPAC name of 1,2-dimethyl-6-oxopyridazin-2-ium-4-olate (CID 122229068) is 1,2-dimethyl-6-oxopyridazin-2-ium-4-olate.
What is the SMILES notation for 1,2-dimethyl-6-oxopyridazin-2-ium-4-olate?
The canonical SMILES for 1,2-dimethyl-6-oxopyridazin-2-ium-4-olate is Cn1c(=O)cc([O-])c[n+]1C.
What is the InChIKey of 1,2-dimethyl-6-oxopyridazin-2-ium-4-olate?
The InChIKey is JMAALRYRAXGLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-7-4-5(9)3-6(10)8(7)2/h3-4H,1-2H3.
What are the key properties of 1,2-dimethyl-6-oxopyridazin-2-ium-4-olate?
1,2-dimethyl-6-oxopyridazin-2-ium-4-olate has a molecular weight of 140.14 g/mol, XLogP of -1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-oxopyridazin-2-ium-4-olate is sourced from PubChem (CID 122229068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).