zinc;2H-triazole;dibromide

C2H3Br2N3Zn — CID 174751003

IUPACzinc;2H-triazole;dibromide
SMILES[Br-].[Br-].[Zn+2].c1cn[nH]n1
InChIInChI=1S/C2H3N3.2BrH.Zn/c1-2-4-5-3-1;;;/h1-2H,(H,3,4,5);2*1H;/q;;;+2/p-2
InChIKeyKHWOYXVYGFKEOI-UHFFFAOYSA-L
MW294.26 g/mol
LogP-6.19
Rot. Bonds

About zinc;2H-triazole;dibromide

zinc;2H-triazole;dibromide (PubChem CID 174751003) has the molecular formula C2H3Br2N3Zn and a molecular weight of 294.26 g/mol. Its IUPAC name is zinc;2H-triazole;dibromide.

Molecular Properties

Compound Namezinc;2H-triazole;dibromide
PubChem CID174751003
Molecular FormulaC2H3Br2N3Zn
Molecular Weight294.26 g/mol
Exact Mass290.80
IUPAC Namezinc;2H-triazole;dibromide
SMILES[Br-].[Br-].[Zn+2].c1cn[nH]n1
InChIInChI=1S/C2H3N3.2BrH.Zn/c1-2-4-5-3-1;;;/h1-2H,(H,3,4,5);2*1H;/q;;;+2/p-2
InChIKeyKHWOYXVYGFKEOI-UHFFFAOYSA-L
XLogP-6.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-6.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;2H-triazole;dibromide?
The IUPAC name of zinc;2H-triazole;dibromide (CID 174751003) is zinc;2H-triazole;dibromide.
What is the SMILES notation for zinc;2H-triazole;dibromide?
The canonical SMILES for zinc;2H-triazole;dibromide is [Br-].[Br-].[Zn+2].c1cn[nH]n1.
What is the InChIKey of zinc;2H-triazole;dibromide?
The InChIKey is KHWOYXVYGFKEOI-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H3N3.2BrH.Zn/c1-2-4-5-3-1;;;/h1-2H,(H,3,4,5);2*1H;/q;;;+2/p-2.
What are the key properties of zinc;2H-triazole;dibromide?
zinc;2H-triazole;dibromide has a molecular weight of 294.26 g/mol, XLogP of -6.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2H-triazole;dibromide is sourced from PubChem (CID 174751003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).