1-(2,4-dibromophenyl)-5-phenyltetrazole

C13H8Br2N4 — CID 1072176

IUPAC1-(2,4-dibromophenyl)-5-phenyltetrazole
SMILESBrc1ccc(-n2nnnc2-c2ccccc2)c(Br)c1
InChIInChI=1S/C13H8Br2N4/c14-10-6-7-12(11(15)8-10)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H
InChIKeyWQDDSBJUOMTQIC-UHFFFAOYSA-N
MW380.04 g/mol
LogP3.85
Rot. Bonds2

About 1-(2,4-dibromophenyl)-5-phenyltetrazole

1-(2,4-dibromophenyl)-5-phenyltetrazole (PubChem CID 1072176) has the molecular formula C13H8Br2N4 and a molecular weight of 380.04 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-5-phenyltetrazole
PubChem CID1072176
Molecular FormulaC13H8Br2N4
Molecular Weight380.04 g/mol
Exact Mass377.91
IUPAC Name1-(2,4-dibromophenyl)-5-phenyltetrazole
SMILESBrc1ccc(-n2nnnc2-c2ccccc2)c(Br)c1
InChIInChI=1S/C13H8Br2N4/c14-10-6-7-12(11(15)8-10)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H
InChIKeyWQDDSBJUOMTQIC-UHFFFAOYSA-N
XLogP3.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-5-phenyltetrazole?
The IUPAC name of 1-(2,4-dibromophenyl)-5-phenyltetrazole (CID 1072176) is 1-(2,4-dibromophenyl)-5-phenyltetrazole.
What is the SMILES notation for 1-(2,4-dibromophenyl)-5-phenyltetrazole?
The canonical SMILES for 1-(2,4-dibromophenyl)-5-phenyltetrazole is Brc1ccc(-n2nnnc2-c2ccccc2)c(Br)c1.
What is the InChIKey of 1-(2,4-dibromophenyl)-5-phenyltetrazole?
The InChIKey is WQDDSBJUOMTQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N4/c14-10-6-7-12(11(15)8-10)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1-(2,4-dibromophenyl)-5-phenyltetrazole?
1-(2,4-dibromophenyl)-5-phenyltetrazole has a molecular weight of 380.04 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-5-phenyltetrazole is sourced from PubChem (CID 1072176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).