zinc;carbanide;bis(triazine)

C8H12N6Zn — CID 158089186

IUPACzinc;carbanide;bis(triazine)
SMILES[CH3-].[CH3-].[Zn+2].c1cnnnc1.c1cnnnc1
InChIInChI=1S/2C3H3N3.2CH3.Zn/c2*1-2-4-6-5-3-1;;;/h2*1-3H;2*1H3;/q;;2*-1;+2
InChIKeyAISNOWNMYDOHNS-UHFFFAOYSA-N
MW257.62 g/mol
LogP0.64
Rot. Bonds

About zinc;carbanide;bis(triazine)

zinc;carbanide;bis(triazine) (PubChem CID 158089186) has the molecular formula C8H12N6Zn and a molecular weight of 257.62 g/mol. Its IUPAC name is zinc;carbanide;bis(triazine).

Molecular Properties

Compound Namezinc;carbanide;bis(triazine)
PubChem CID158089186
Molecular FormulaC8H12N6Zn
Molecular Weight257.62 g/mol
Exact Mass256.04
IUPAC Namezinc;carbanide;bis(triazine)
SMILES[CH3-].[CH3-].[Zn+2].c1cnnnc1.c1cnnnc1
InChIInChI=1S/2C3H3N3.2CH3.Zn/c2*1-2-4-6-5-3-1;;;/h2*1-3H;2*1H3;/q;;2*-1;+2
InChIKeyAISNOWNMYDOHNS-UHFFFAOYSA-N
XLogP0.64
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.62
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of zinc;carbanide;bis(triazine)?
The IUPAC name of zinc;carbanide;bis(triazine) (CID 158089186) is zinc;carbanide;bis(triazine).
What is the SMILES notation for zinc;carbanide;bis(triazine)?
The canonical SMILES for zinc;carbanide;bis(triazine) is [CH3-].[CH3-].[Zn+2].c1cnnnc1.c1cnnnc1.
What is the InChIKey of zinc;carbanide;bis(triazine)?
The InChIKey is AISNOWNMYDOHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3N3.2CH3.Zn/c2*1-2-4-6-5-3-1;;;/h2*1-3H;2*1H3;/q;;2*-1;+2.
What are the key properties of zinc;carbanide;bis(triazine)?
zinc;carbanide;bis(triazine) has a molecular weight of 257.62 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;bis(triazine) is sourced from PubChem (CID 158089186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).