zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride

C8H11Cl2N3Zn — CID 19857749

IUPACzinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride
SMILESCN(C)C1C=CC(=[N+]=[N-])C=C1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C8H11N3.2ClH.Zn/c1-11(2)8-5-3-7(10-9)4-6-8;;;/h3-6,8H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyRMZKDDRQAPFBOC-UHFFFAOYSA-L
MW285.49 g/mol
LogP-5.28
Rot. Bonds1

About zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride

zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride (PubChem CID 19857749) has the molecular formula C8H11Cl2N3Zn and a molecular weight of 285.49 g/mol. Its IUPAC name is zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride.

Molecular Properties

Compound Namezinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride
PubChem CID19857749
Molecular FormulaC8H11Cl2N3Zn
Molecular Weight285.49 g/mol
Exact Mass282.96
IUPAC Namezinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride
SMILESCN(C)C1C=CC(=[N+]=[N-])C=C1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C8H11N3.2ClH.Zn/c1-11(2)8-5-3-7(10-9)4-6-8;;;/h3-6,8H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyRMZKDDRQAPFBOC-UHFFFAOYSA-L
XLogP-5.28
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.49
LogP ≤ 5-5.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride?
The IUPAC name of zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride (CID 19857749) is zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride.
What is the SMILES notation for zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride?
The canonical SMILES for zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride is CN(C)C1C=CC(=[N+]=[N-])C=C1.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride?
The InChIKey is RMZKDDRQAPFBOC-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11N3.2ClH.Zn/c1-11(2)8-5-3-7(10-9)4-6-8;;;/h3-6,8H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride?
zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride has a molecular weight of 285.49 g/mol, XLogP of -5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride is sourced from PubChem (CID 19857749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).