2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium

C14H10BrN8+ — CID 1352468

IUPAC2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium
SMILESBrc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10BrN8/c15-11-6-8-12(9-7-11)22-18-13(10-4-2-1-3-5-10)19-23(22)14-16-20-21-17-14/h1-9H,(H,16,17,20,21)/q+1
InChIKeyHLHFGJXGHRADBK-UHFFFAOYSA-N
MW370.19 g/mol
LogP1.49
Rot. Bonds3

About 2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium

2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium (PubChem CID 1352468) has the molecular formula C14H10BrN8+ and a molecular weight of 370.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium
PubChem CID1352468
Molecular FormulaC14H10BrN8+
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium
SMILESBrc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10BrN8/c15-11-6-8-12(9-7-11)22-18-13(10-4-2-1-3-5-10)19-23(22)14-16-20-21-17-14/h1-9H,(H,16,17,20,21)/q+1
InChIKeyHLHFGJXGHRADBK-UHFFFAOYSA-N
XLogP1.49
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium?
The IUPAC name of 2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium (CID 1352468) is 2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium.
What is the SMILES notation for 2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium?
The canonical SMILES for 2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium is Brc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium?
The InChIKey is HLHFGJXGHRADBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN8/c15-11-6-8-12(9-7-11)22-18-13(10-4-2-1-3-5-10)19-23(22)14-16-20-21-17-14/h1-9H,(H,16,17,20,21)/q+1.
What are the key properties of 2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium?
2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium has a molecular weight of 370.19 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium is sourced from PubChem (CID 1352468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).