5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole

C10H8Br2N4 — CID 52727894

IUPAC5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole
SMILESC=C(Br)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H8Br2N4/c1-7(11)6-16-14-10(13-15-16)8-2-4-9(12)5-3-8/h2-5H,1,6H2
InChIKeyPCINPIDYMLRZLR-UHFFFAOYSA-N
MW344.01 g/mol
LogP3.01
Rot. Bonds3

About 5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole

5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole (PubChem CID 52727894) has the molecular formula C10H8Br2N4 and a molecular weight of 344.01 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole
PubChem CID52727894
Molecular FormulaC10H8Br2N4
Molecular Weight344.01 g/mol
Exact Mass341.91
IUPAC Name5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole
SMILESC=C(Br)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H8Br2N4/c1-7(11)6-16-14-10(13-15-16)8-2-4-9(12)5-3-8/h2-5H,1,6H2
InChIKeyPCINPIDYMLRZLR-UHFFFAOYSA-N
XLogP3.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.01
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide
CID 8598069
ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 30822735
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
5-(4-bromophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole
CID 7490503
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8598098
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 7490439
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7589240
(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide
CID 8598093

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole?
The IUPAC name of 5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole (CID 52727894) is 5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole?
The canonical SMILES for 5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole is C=C(Br)Cn1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole?
The InChIKey is PCINPIDYMLRZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N4/c1-7(11)6-16-14-10(13-15-16)8-2-4-9(12)5-3-8/h2-5H,1,6H2.
What are the key properties of 5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole?
5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole has a molecular weight of 344.01 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole is sourced from PubChem (CID 52727894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).