4-ethenyl-3H-pyridazin-3-ide;yttrium

C6H4N2Y-2 — CID 59857438

IUPAC4-ethenyl-3H-pyridazin-3-ide;yttrium
SMILES[H]/[C-]=C/c1[c-]nncc1.[Y]
InChIInChI=1S/C6H4N2.Y/c1-2-6-3-4-7-8-5-6;/h1-4H;/q-2;
InChIKeyCQOGZDWMUBSQNR-UHFFFAOYSA-N
MW193.02 g/mol
LogP0.72
Rot. Bonds1

About 4-ethenyl-3H-pyridazin-3-ide;yttrium

4-ethenyl-3H-pyridazin-3-ide;yttrium (PubChem CID 59857438) has the molecular formula C6H4N2Y-2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 4-ethenyl-3H-pyridazin-3-ide;yttrium.

Molecular Properties

Compound Name4-ethenyl-3H-pyridazin-3-ide;yttrium
PubChem CID59857438
Molecular FormulaC6H4N2Y-2
Molecular Weight193.02 g/mol
Exact Mass192.94
IUPAC Name4-ethenyl-3H-pyridazin-3-ide;yttrium
SMILES[H]/[C-]=C/c1[c-]nncc1.[Y]
InChIInChI=1S/C6H4N2.Y/c1-2-6-3-4-7-8-5-6;/h1-4H;/q-2;
InChIKeyCQOGZDWMUBSQNR-UHFFFAOYSA-N
XLogP0.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3H-pyridazin-3-ide;yttrium?
The IUPAC name of 4-ethenyl-3H-pyridazin-3-ide;yttrium (CID 59857438) is 4-ethenyl-3H-pyridazin-3-ide;yttrium.
What is the SMILES notation for 4-ethenyl-3H-pyridazin-3-ide;yttrium?
The canonical SMILES for 4-ethenyl-3H-pyridazin-3-ide;yttrium is [H]/[C-]=C/c1[c-]nncc1.[Y].
What is the InChIKey of 4-ethenyl-3H-pyridazin-3-ide;yttrium?
The InChIKey is CQOGZDWMUBSQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2.Y/c1-2-6-3-4-7-8-5-6;/h1-4H;/q-2;.
What are the key properties of 4-ethenyl-3H-pyridazin-3-ide;yttrium?
4-ethenyl-3H-pyridazin-3-ide;yttrium has a molecular weight of 193.02 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3H-pyridazin-3-ide;yttrium is sourced from PubChem (CID 59857438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).