5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C11H5Br2FN4 — CID 86178423

IUPAC5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccccc1-c1c(Br)nc2ncnn2c1Br
InChIInChI=1S/C11H5Br2FN4/c12-9-8(6-3-1-2-4-7(6)14)10(13)18-11(17-9)15-5-16-18/h1-5H
InChIKeyZJNYNCJKBNPNSZ-UHFFFAOYSA-N
MW372.00 g/mol
LogP3.46
Rot. Bonds1

About 5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 86178423) has the molecular formula C11H5Br2FN4 and a molecular weight of 372.00 g/mol. Its IUPAC name is 5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID86178423
Molecular FormulaC11H5Br2FN4
Molecular Weight372.00 g/mol
Exact Mass369.89
IUPAC Name5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccccc1-c1c(Br)nc2ncnn2c1Br
InChIInChI=1S/C11H5Br2FN4/c12-9-8(6-3-1-2-4-7(6)14)10(13)18-11(17-9)15-5-16-18/h1-5H
InChIKeyZJNYNCJKBNPNSZ-UHFFFAOYSA-N
XLogP3.46
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.00
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 86178423) is 5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccccc1-c1c(Br)nc2ncnn2c1Br.
What is the InChIKey of 5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZJNYNCJKBNPNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2FN4/c12-9-8(6-3-1-2-4-7(6)14)10(13)18-11(17-9)15-5-16-18/h1-5H.
What are the key properties of 5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 372.00 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86178423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).