zinc;2,5-bis(methylamino)benzenediazonium;trichloride

C8H11Cl3N4Zn — CID 173436982

IUPACzinc;2,5-bis(methylamino)benzenediazonium;trichloride
SMILESCNc1ccc(NC)c([N+]#N)c1.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C8H10N4.3ClH.Zn/c1-10-6-3-4-7(11-2)8(5-6)12-9;;;;/h3-5,9H,1-2H3;3*1H;/q;;;;+2/p-2
InChIKeyQKLVKKMLUMTELQ-UHFFFAOYSA-L
MW334.95 g/mol
LogP-6.74
Rot. Bonds2

About zinc;2,5-bis(methylamino)benzenediazonium;trichloride

zinc;2,5-bis(methylamino)benzenediazonium;trichloride (PubChem CID 173436982) has the molecular formula C8H11Cl3N4Zn and a molecular weight of 334.95 g/mol. Its IUPAC name is zinc;2,5-bis(methylamino)benzenediazonium;trichloride.

Molecular Properties

Compound Namezinc;2,5-bis(methylamino)benzenediazonium;trichloride
PubChem CID173436982
Molecular FormulaC8H11Cl3N4Zn
Molecular Weight334.95 g/mol
Exact Mass331.93
IUPAC Namezinc;2,5-bis(methylamino)benzenediazonium;trichloride
SMILESCNc1ccc(NC)c([N+]#N)c1.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C8H10N4.3ClH.Zn/c1-10-6-3-4-7(11-2)8(5-6)12-9;;;;/h3-5,9H,1-2H3;3*1H;/q;;;;+2/p-2
InChIKeyQKLVKKMLUMTELQ-UHFFFAOYSA-L
XLogP-6.74
TPSA52.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.95
LogP ≤ 5-6.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(methylamino)benzenediazonium
CID 173436983
zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride
CID 21116290
2-ethenyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 169168599
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
[2,5-bis(methylamino)phenyl]-phenylmethanone
CID 57239314
4-tert-butyl-3-isocyano-N-methylaniline
CID 153497146
2-N,6-N,1,4-tetramethylnaphthalene-2,6-diamine
CID 139804075
4-N-methyl-2-propylbenzene-1,4-diamine
CID 141261485
2-amino-4-(methylamino)benzenethiol;ethane
CID 142272168
3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine
CID 166929518
3,4-difluoro-N-methylaniline;ethane
CID 143398651
4-tert-butyl-1-N-methylbenzene-1,3-diamine
CID 130787957

Frequently Asked Questions

What is the IUPAC name of zinc;2,5-bis(methylamino)benzenediazonium;trichloride?
The IUPAC name of zinc;2,5-bis(methylamino)benzenediazonium;trichloride (CID 173436982) is zinc;2,5-bis(methylamino)benzenediazonium;trichloride.
What is the SMILES notation for zinc;2,5-bis(methylamino)benzenediazonium;trichloride?
The canonical SMILES for zinc;2,5-bis(methylamino)benzenediazonium;trichloride is CNc1ccc(NC)c([N+]#N)c1.[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;2,5-bis(methylamino)benzenediazonium;trichloride?
The InChIKey is QKLVKKMLUMTELQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10N4.3ClH.Zn/c1-10-6-3-4-7(11-2)8(5-6)12-9;;;;/h3-5,9H,1-2H3;3*1H;/q;;;;+2/p-2.
What are the key properties of zinc;2,5-bis(methylamino)benzenediazonium;trichloride?
zinc;2,5-bis(methylamino)benzenediazonium;trichloride has a molecular weight of 334.95 g/mol, XLogP of -6.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2,5-bis(methylamino)benzenediazonium;trichloride is sourced from PubChem (CID 173436982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).