5-(4-bromophenyl)tetrazine

C8H5BrN4 — CID 163253047

IUPAC5-(4-bromophenyl)tetrazine
SMILESBrc1ccc(-c2cnnnn2)cc1
InChIInChI=1S/C8H5BrN4/c9-7-3-1-6(2-4-7)8-5-10-12-13-11-8/h1-5H
InChIKeyVPJGVEZLUZIIDN-UHFFFAOYSA-N
MW237.06 g/mol
LogP1.70
Rot. Bonds1

About 5-(4-bromophenyl)tetrazine

5-(4-bromophenyl)tetrazine (PubChem CID 163253047) has the molecular formula C8H5BrN4 and a molecular weight of 237.06 g/mol. Its IUPAC name is 5-(4-bromophenyl)tetrazine.

Molecular Properties

Compound Name5-(4-bromophenyl)tetrazine
PubChem CID163253047
Molecular FormulaC8H5BrN4
Molecular Weight237.06 g/mol
Exact Mass235.97
IUPAC Name5-(4-bromophenyl)tetrazine
SMILESBrc1ccc(-c2cnnnn2)cc1
InChIInChI=1S/C8H5BrN4/c9-7-3-1-6(2-4-7)8-5-10-12-13-11-8/h1-5H
InChIKeyVPJGVEZLUZIIDN-UHFFFAOYSA-N
XLogP1.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(tetrazin-5-yl)phenyl]tetrazine
CID 170611296
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
3-(4-bromophenyl)-1,2,4,5-tetrazine
CID 642839
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
3-(4-bromophenyl)-6-propan-2-ylpyridazine
CID 118454795
[6-(4-bromophenyl)-3-pyridinyl]methanol
CID 24729901
5-amino-3-(4-bromophenyl)pyrazole-1-carbothioamide
CID 121216031
2,5-bis(4-bromophenyl)pyrimidine
CID 14089893
azane;1,4-dibromobenzene
CID 175259215
5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
4-[4-(4-bromophenyl)phenyl]pyrimidine
CID 174799643

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)tetrazine?
The IUPAC name of 5-(4-bromophenyl)tetrazine (CID 163253047) is 5-(4-bromophenyl)tetrazine.
What is the SMILES notation for 5-(4-bromophenyl)tetrazine?
The canonical SMILES for 5-(4-bromophenyl)tetrazine is Brc1ccc(-c2cnnnn2)cc1.
What is the InChIKey of 5-(4-bromophenyl)tetrazine?
The InChIKey is VPJGVEZLUZIIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4/c9-7-3-1-6(2-4-7)8-5-10-12-13-11-8/h1-5H.
What are the key properties of 5-(4-bromophenyl)tetrazine?
5-(4-bromophenyl)tetrazine has a molecular weight of 237.06 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)tetrazine is sourced from PubChem (CID 163253047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).