5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole

C14H11BrN4 — CID 829409

IUPAC5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2ccccc2Br)cc1
InChIInChI=1S/C14H11BrN4/c1-10-6-8-11(9-7-10)19-14(16-17-18-19)12-4-2-3-5-13(12)15/h2-9H,1H3
InChIKeyFBZCQEKBAMIYJB-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.40
Rot. Bonds2

About 5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole

5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole (PubChem CID 829409) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole
PubChem CID829409
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2ccccc2Br)cc1
InChIInChI=1S/C14H11BrN4/c1-10-6-8-11(9-7-10)19-14(16-17-18-19)12-4-2-3-5-13(12)15/h2-9H,1H3
InChIKeyFBZCQEKBAMIYJB-UHFFFAOYSA-N
XLogP3.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Tetrazole, 1,5-diphenyl-
CID 139033
4-[1-(4-aminophenyl)-1H-tetraazol-5-yl]phenylamine
CID 852671
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
1-(4-Tert-butylphenyl)-5-phenyltetrazole
CID 2732009
{4-[2-(2-Bromo-benzyl)-2H-tetrazol-5-yl]-phenyl}-dimethyl-amine
CID 648589
1,5-bis(3-methylphenyl)-1H-1,2,3,4-tetraazole
CID 1474273
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
5-[2-(2-Bromophenyl)phenyl]-1-(2-fluorophenyl)-1H-1,2,3,4-tetrazole
CID 73052994
1,5-Bis(4-methylphenyl)-1,2,3,4-tetraazole
CID 767778
5-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-tetraazole
CID 855912

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole (CID 829409) is 5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2-c2ccccc2Br)cc1.
What is the InChIKey of 5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole?
The InChIKey is FBZCQEKBAMIYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c1-10-6-8-11(9-7-10)19-14(16-17-18-19)12-4-2-3-5-13(12)15/h2-9H,1H3.
What are the key properties of 5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole?
5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole has a molecular weight of 315.17 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 829409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).