5-(4-bromophenyl)-2-ethyltetrazole

C9H9BrN4 — CID 12056208

IUPAC5-(4-bromophenyl)-2-ethyltetrazole
SMILESCCn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C9H9BrN4/c1-2-14-12-9(11-13-14)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKeyILCWGARIAYABEA-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.12
Rot. Bonds2

About 5-(4-bromophenyl)-2-ethyltetrazole

5-(4-bromophenyl)-2-ethyltetrazole (PubChem CID 12056208) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-ethyltetrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-ethyltetrazole
PubChem CID12056208
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name5-(4-bromophenyl)-2-ethyltetrazole
SMILESCCn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C9H9BrN4/c1-2-14-12-9(11-13-14)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKeyILCWGARIAYABEA-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Bromophenyl)-1H-tetrazole
CID 766141
5-(2-Bromophenyl)-1H-tetrazole
CID 560689
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
5-(3-bromophenyl)-1H-1,2,3,4-tetrazole
CID 4073056
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
2-Methyl-5-phenyl-2H-tetrazole
CID 329758
2-(4-bromobenzyl)-5-[4-(methylthio)phenyl]-2H-tetrazole
CID 1293615
3-(5-Phenyl-tetrazol-2-yl)-propionitrile
CID 14359651
4-(5-Phenyltetrazol-2-yl)butanenitrile
CID 329765
2-(Propen-3-yl)-5-phenyltetrazole
CID 329757
3-(4-Bromophenyl)-1,2,4,5-tetrazine
CID 642839
Piperidine, 1-(2-(5-(4-bromophenyl)-2H-tetrazol-2-yl)ethyl)-
CID 3074476

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-ethyltetrazole?
The IUPAC name of 5-(4-bromophenyl)-2-ethyltetrazole (CID 12056208) is 5-(4-bromophenyl)-2-ethyltetrazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-ethyltetrazole?
The canonical SMILES for 5-(4-bromophenyl)-2-ethyltetrazole is CCn1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 5-(4-bromophenyl)-2-ethyltetrazole?
The InChIKey is ILCWGARIAYABEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-2-14-12-9(11-13-14)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3.
What are the key properties of 5-(4-bromophenyl)-2-ethyltetrazole?
5-(4-bromophenyl)-2-ethyltetrazole has a molecular weight of 253.10 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-ethyltetrazole is sourced from PubChem (CID 12056208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).