1,5-diphenyltetrazole;hydrobromide

C13H11BrN4 — CID 133064702

IUPAC1,5-diphenyltetrazole;hydrobromide
SMILESBr.c1ccc(-c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C13H10N4.BrH/c1-3-7-11(8-4-1)13-14-15-16-17(13)12-9-5-2-6-10-12;/h1-10H;1H
InChIKeyPFKYCGAUNWCWNO-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.91
Rot. Bonds2

About 1,5-diphenyltetrazole;hydrobromide

1,5-diphenyltetrazole;hydrobromide (PubChem CID 133064702) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 1,5-diphenyltetrazole;hydrobromide.

Molecular Properties

Compound Name1,5-diphenyltetrazole;hydrobromide
PubChem CID133064702
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name1,5-diphenyltetrazole;hydrobromide
SMILESBr.c1ccc(-c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C13H10N4.BrH/c1-3-7-11(8-4-1)13-14-15-16-17(13)12-9-5-2-6-10-12;/h1-10H;1H
InChIKeyPFKYCGAUNWCWNO-UHFFFAOYSA-N
XLogP2.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyltetrazole;hydrobromide?
The IUPAC name of 1,5-diphenyltetrazole;hydrobromide (CID 133064702) is 1,5-diphenyltetrazole;hydrobromide.
What is the SMILES notation for 1,5-diphenyltetrazole;hydrobromide?
The canonical SMILES for 1,5-diphenyltetrazole;hydrobromide is Br.c1ccc(-c2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 1,5-diphenyltetrazole;hydrobromide?
The InChIKey is PFKYCGAUNWCWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4.BrH/c1-3-7-11(8-4-1)13-14-15-16-17(13)12-9-5-2-6-10-12;/h1-10H;1H.
What are the key properties of 1,5-diphenyltetrazole;hydrobromide?
1,5-diphenyltetrazole;hydrobromide has a molecular weight of 303.16 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyltetrazole;hydrobromide is sourced from PubChem (CID 133064702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).