(6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium

C9H10N2Y-2 — CID 59950006

IUPAC(6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium
SMILESCC1=CC(=[N-])C(=[N-])C(C)=C1C.[Y]
InChIInChI=1S/C9H10N2.Y/c1-5-4-8(10)9(11)7(3)6(5)2;/h4H,1-3H3;/q-2;
InChIKeyKJKVZOSFIHYGIF-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.30
Rot. Bonds

About (6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium

(6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium (PubChem CID 59950006) has the molecular formula C9H10N2Y-2 and a molecular weight of 235.10 g/mol. Its IUPAC name is (6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium.

Molecular Properties

Compound Name(6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium
PubChem CID59950006
Molecular FormulaC9H10N2Y-2
Molecular Weight235.10 g/mol
Exact Mass234.99
IUPAC Name(6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium
SMILESCC1=CC(=[N-])C(=[N-])C(C)=C1C.[Y]
InChIInChI=1S/C9H10N2.Y/c1-5-4-8(10)9(11)7(3)6(5)2;/h4H,1-3H3;/q-2;
InChIKeyKJKVZOSFIHYGIF-UHFFFAOYSA-N
XLogP2.30
TPSA44.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.30
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

6-Fluoro-2,3,5-trimethyl-1,2-benzazaindigole
CID 143308565
2,4-Dimethylcyclohexa-2,4-dien-1-imine
CID 17812233
4-Diazofluorene
CID 18690529
4-Ethenyl-2,2-dimethylbenzimidazole
CID 20537676
1-Phenylethylideneazanide;tungsten(2+)
CID 20737701
1-Cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)
CID 20750401
1-Cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)
CID 20750403
(6-Azanidylidene-2,5-dimethylcyclohexa-2,4-dien-1-ylidene)azanide;uranium(2+)
CID 23395156
5-Diazo-2,3-dimethylcyclohexa-1,3-diene
CID 54226095
CID 57560916
CID 57560916
[6-Azanidylidene-2,5-bis(buta-1,3-dienyl)cyclohexa-2,4-dien-1-ylidene]azanide;tris(yttrium)
CID 57582567
(6-Azanidylidene-2-methylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium
CID 57641796

Frequently Asked Questions

What is the IUPAC name of (6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium?
The IUPAC name of (6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium (CID 59950006) is (6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium.
What is the SMILES notation for (6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium?
The canonical SMILES for (6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium is CC1=CC(=[N-])C(=[N-])C(C)=C1C.[Y].
What is the InChIKey of (6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium?
The InChIKey is KJKVZOSFIHYGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.Y/c1-5-4-8(10)9(11)7(3)6(5)2;/h4H,1-3H3;/q-2;.
What are the key properties of (6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium?
(6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium has a molecular weight of 235.10 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium is sourced from PubChem (CID 59950006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).