(6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium

C6H4N2Y-2 — CID 58960944

IUPAC(6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium
SMILES[N-]=C1C=CC=CC1=[N-].[Y]
InChIInChI=1S/C6H4N2.Y/c7-5-3-1-2-4-6(5)8;/h1-4H;/q-2;
InChIKeyYAZVZHMEUJVAGE-UHFFFAOYSA-N
MW193.02 g/mol
LogP1.13
Rot. Bonds

About (6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium

(6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium (PubChem CID 58960944) has the molecular formula C6H4N2Y-2 and a molecular weight of 193.02 g/mol. Its IUPAC name is (6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium.

Molecular Properties

Compound Name(6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium
PubChem CID58960944
Molecular FormulaC6H4N2Y-2
Molecular Weight193.02 g/mol
Exact Mass192.94
IUPAC Name(6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium
SMILES[N-]=C1C=CC=CC1=[N-].[Y]
InChIInChI=1S/C6H4N2.Y/c7-5-3-1-2-4-6(5)8;/h1-4H;/q-2;
InChIKeyYAZVZHMEUJVAGE-UHFFFAOYSA-N
XLogP1.13
TPSA44.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 9548684
3,5-Cyclohexadiene-1,2-diimine
CID 5475975
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CID 18624439
Benzimidazole-2-selenone
CID 19602233
2,1,3-Benzothiazastannol
CID 129637303
Benzimidazol-2-ylidene silver
CID 129856907
(6-Azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;chlorozinc(1+);yttrium
CID 134965446
Cyclohexa-2,4-dien-1-ylideneazanide;nickel
CID 175667791
(6-Azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;uranium(2+)
CID 57572559
(6-Azanidylidene-2-methylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium
CID 57641796
(6-Azanidylidene-3-methylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium
CID 57910628
1-Phenylethylideneazanide;yttrium
CID 59868263

Frequently Asked Questions

What is the IUPAC name of (6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium?
The IUPAC name of (6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium (CID 58960944) is (6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium.
What is the SMILES notation for (6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium?
The canonical SMILES for (6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium is [N-]=C1C=CC=CC1=[N-].[Y].
What is the InChIKey of (6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium?
The InChIKey is YAZVZHMEUJVAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2.Y/c7-5-3-1-2-4-6(5)8;/h1-4H;/q-2;.
What are the key properties of (6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium?
(6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium has a molecular weight of 193.02 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-azanidylidenecyclohexa-2,4-dien-1-ylidene)azanide;yttrium is sourced from PubChem (CID 58960944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).