magnesium;1-tert-butyl-5-phenyltetrazole;bromide

C11H13BrMgN4 — CID 54695391

IUPACmagnesium;1-tert-butyl-5-phenyltetrazole;bromide
SMILESCC(C)(C)n1nnnc1-c1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C11H13N4.BrH.Mg/c1-11(2,3)15-10(12-13-14-15)9-7-5-4-6-8-9;;/h4-7H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyMIEBUROGFJNRGK-UHFFFAOYSA-M
MW305.46 g/mol
LogP-1.48
Rot. Bonds1

About magnesium;1-tert-butyl-5-phenyltetrazole;bromide

magnesium;1-tert-butyl-5-phenyltetrazole;bromide (PubChem CID 54695391) has the molecular formula C11H13BrMgN4 and a molecular weight of 305.46 g/mol. Its IUPAC name is magnesium;1-tert-butyl-5-phenyltetrazole;bromide.

Molecular Properties

Compound Namemagnesium;1-tert-butyl-5-phenyltetrazole;bromide
PubChem CID54695391
Molecular FormulaC11H13BrMgN4
Molecular Weight305.46 g/mol
Exact Mass304.02
IUPAC Namemagnesium;1-tert-butyl-5-phenyltetrazole;bromide
SMILESCC(C)(C)n1nnnc1-c1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C11H13N4.BrH.Mg/c1-11(2,3)15-10(12-13-14-15)9-7-5-4-6-8-9;;/h4-7H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyMIEBUROGFJNRGK-UHFFFAOYSA-M
XLogP-1.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-tert-butyl-5-phenyltetrazole;bromide?
The IUPAC name of magnesium;1-tert-butyl-5-phenyltetrazole;bromide (CID 54695391) is magnesium;1-tert-butyl-5-phenyltetrazole;bromide.
What is the SMILES notation for magnesium;1-tert-butyl-5-phenyltetrazole;bromide?
The canonical SMILES for magnesium;1-tert-butyl-5-phenyltetrazole;bromide is CC(C)(C)n1nnnc1-c1[c-]cccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-tert-butyl-5-phenyltetrazole;bromide?
The InChIKey is MIEBUROGFJNRGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13N4.BrH.Mg/c1-11(2,3)15-10(12-13-14-15)9-7-5-4-6-8-9;;/h4-7H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-tert-butyl-5-phenyltetrazole;bromide?
magnesium;1-tert-butyl-5-phenyltetrazole;bromide has a molecular weight of 305.46 g/mol, XLogP of -1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-tert-butyl-5-phenyltetrazole;bromide is sourced from PubChem (CID 54695391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).