phenyliminoazanium;yttrium

C6H6N2Y — CID 59076289

IUPACphenyliminoazanium;yttrium
SMILES[NH2+]=Nc1cc[c-]cc1.[Y]
InChIInChI=1S/C6H5N2.Y/c7-8-6-4-2-1-3-5-6;/h2-5,7H;/q-1;/p+1
InChIKeyPPKIIUUEDVQFML-UHFFFAOYSA-O
MW195.03 g/mol
LogP0.33
Rot. Bonds1

About phenyliminoazanium;yttrium

phenyliminoazanium;yttrium (PubChem CID 59076289) has the molecular formula C6H6N2Y and a molecular weight of 195.03 g/mol. Its IUPAC name is phenyliminoazanium;yttrium.

Molecular Properties

Compound Namephenyliminoazanium;yttrium
PubChem CID59076289
Molecular FormulaC6H6N2Y
Molecular Weight195.03 g/mol
Exact Mass194.96
IUPAC Namephenyliminoazanium;yttrium
SMILES[NH2+]=Nc1cc[c-]cc1.[Y]
InChIInChI=1S/C6H5N2.Y/c7-8-6-4-2-1-3-5-6;/h2-5,7H;/q-1;/p+1
InChIKeyPPKIIUUEDVQFML-UHFFFAOYSA-O
XLogP0.33
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.03
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-Aminoazobenzene auramine
CID 129729459
Di(phenyl)diazene;bis(yttrium)
CID 162401694
Lithium (aminodiazenyl)benzene
CID 18388300
Penta-1,3-dien-3-yldiazene
CID 53816379
[(3E)-penta-1,3-dien-3-yl]iminoazanium
CID 58165728
[(3E)-penta-1,3-dien-3-yl]diazene
CID 58165729
Phenyliminoazanide;yttrium
CID 58999585
[(3E)-hexa-1,3,5-trien-3-yl]diazene
CID 91528199
[(2E,4Z,6E)-octa-2,4,6-trien-3-yl]diazene
CID 163814265
3-(Aminodiazenyl)-1lambda3-iodacyclohexa-2,4,6-triene
CID 163928020
Cyclooctatetraenyldiazene
CID 175397638
Buta-1,3-dien-2-yldiazene
CID 142074109

Frequently Asked Questions

What is the IUPAC name of phenyliminoazanium;yttrium?
The IUPAC name of phenyliminoazanium;yttrium (CID 59076289) is phenyliminoazanium;yttrium.
What is the SMILES notation for phenyliminoazanium;yttrium?
The canonical SMILES for phenyliminoazanium;yttrium is [NH2+]=Nc1cc[c-]cc1.[Y].
What is the InChIKey of phenyliminoazanium;yttrium?
The InChIKey is PPKIIUUEDVQFML-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5N2.Y/c7-8-6-4-2-1-3-5-6;/h2-5,7H;/q-1;/p+1.
What are the key properties of phenyliminoazanium;yttrium?
phenyliminoazanium;yttrium has a molecular weight of 195.03 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyliminoazanium;yttrium is sourced from PubChem (CID 59076289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).