2,3,5-triphenyl-1H-tetrazol-1-ium bromide

C19H17BrN4 — CID 53445285

IUPAC2,3,5-triphenyl-1H-tetrazol-1-ium bromide
SMILES[Br-].c1ccc(C2=NN(c3ccccc3)N(c3ccccc3)[NH2+]2)cc1
InChIInChI=1S/C19H16N4.BrH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H,(H,20,21);1H
InChIKeyKMEUWWJICRYLBZ-UHFFFAOYSA-N
MW381.28 g/mol
LogP-0.23
Rot. Bonds3

About 2,3,5-triphenyl-1H-tetrazol-1-ium bromide

2,3,5-triphenyl-1H-tetrazol-1-ium bromide (PubChem CID 53445285) has the molecular formula C19H17BrN4 and a molecular weight of 381.28 g/mol. Its IUPAC name is 2,3,5-triphenyl-1H-tetrazol-1-ium bromide.

Molecular Properties

Compound Name2,3,5-triphenyl-1H-tetrazol-1-ium bromide
PubChem CID53445285
Molecular FormulaC19H17BrN4
Molecular Weight381.28 g/mol
Exact Mass380.06
IUPAC Name2,3,5-triphenyl-1H-tetrazol-1-ium bromide
SMILES[Br-].c1ccc(C2=NN(c3ccccc3)N(c3ccccc3)[NH2+]2)cc1
InChIInChI=1S/C19H16N4.BrH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H,(H,20,21);1H
InChIKeyKMEUWWJICRYLBZ-UHFFFAOYSA-N
XLogP-0.23
TPSA35.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-1H-tetrazol-1-ium bromide?
The IUPAC name of 2,3,5-triphenyl-1H-tetrazol-1-ium bromide (CID 53445285) is 2,3,5-triphenyl-1H-tetrazol-1-ium bromide.
What is the SMILES notation for 2,3,5-triphenyl-1H-tetrazol-1-ium bromide?
The canonical SMILES for 2,3,5-triphenyl-1H-tetrazol-1-ium bromide is [Br-].c1ccc(C2=NN(c3ccccc3)N(c3ccccc3)[NH2+]2)cc1.
What is the InChIKey of 2,3,5-triphenyl-1H-tetrazol-1-ium bromide?
The InChIKey is KMEUWWJICRYLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4.BrH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H,(H,20,21);1H.
What are the key properties of 2,3,5-triphenyl-1H-tetrazol-1-ium bromide?
2,3,5-triphenyl-1H-tetrazol-1-ium bromide has a molecular weight of 381.28 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-1H-tetrazol-1-ium bromide is sourced from PubChem (CID 53445285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).