5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium

C17H13N2OY- — CID 58714115

IUPAC5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium
SMILESCc1ccc(-c2c(-c3cc[c-]cc3)cn[nH]c2=O)cc1.[Y]
InChIInChI=1S/C17H13N2O.Y/c1-12-7-9-14(10-8-12)16-15(11-18-19-17(16)20)13-5-3-2-4-6-13;/h3-11H,1H3,(H,19,20);/q-1;
InChIKeyQJHAAIURPDIBRE-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.21
Rot. Bonds2

About 5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium

5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium (PubChem CID 58714115) has the molecular formula C17H13N2OY- and a molecular weight of 350.21 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium
PubChem CID58714115
Molecular FormulaC17H13N2OY-
Molecular Weight350.21 g/mol
Exact Mass350.01
IUPAC Name5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium
SMILESCc1ccc(-c2c(-c3cc[c-]cc3)cn[nH]c2=O)cc1.[Y]
InChIInChI=1S/C17H13N2O.Y/c1-12-7-9-14(10-8-12)16-15(11-18-19-17(16)20)13-5-3-2-4-6-13;/h3-11H,1H3,(H,19,20);/q-1;
InChIKeyQJHAAIURPDIBRE-UHFFFAOYSA-N
XLogP3.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
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 5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium?
The IUPAC name of 5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium (CID 58714115) is 5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium.
What is the SMILES notation for 5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium?
The canonical SMILES for 5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium is Cc1ccc(-c2c(-c3cc[c-]cc3)cn[nH]c2=O)cc1.[Y].
What is the InChIKey of 5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium?
The InChIKey is QJHAAIURPDIBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N2O.Y/c1-12-7-9-14(10-8-12)16-15(11-18-19-17(16)20)13-5-3-2-4-6-13;/h3-11H,1H3,(H,19,20);/q-1;.
What are the key properties of 5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium?
5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium has a molecular weight of 350.21 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium is sourced from PubChem (CID 58714115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).