2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H6BrF3N4 — CID 101185441

IUPAC2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccn2nc(-c3ccccc3Br)nc2n1
InChIInChI=1S/C12H6BrF3N4/c13-8-4-2-1-3-7(8)10-18-11-17-9(12(14,15)16)5-6-20(11)19-10/h1-6H
InChIKeyWYECSLCXQKKUEK-UHFFFAOYSA-N
MW343.11 g/mol
LogP3.57
Rot. Bonds1

About 2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 101185441) has the molecular formula C12H6BrF3N4 and a molecular weight of 343.11 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID101185441
Molecular FormulaC12H6BrF3N4
Molecular Weight343.11 g/mol
Exact Mass341.97
IUPAC Name2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccn2nc(-c3ccccc3Br)nc2n1
InChIInChI=1S/C12H6BrF3N4/c13-8-4-2-1-3-7(8)10-18-11-17-9(12(14,15)16)5-6-20(11)19-10/h1-6H
InChIKeyWYECSLCXQKKUEK-UHFFFAOYSA-N
XLogP3.57
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.11
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117135404
5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12012770
2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489387
2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 136927128
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221
2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567451
2-(2-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737900
2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 154400025
4-(2-bromophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 135455834
5-(2-bromophenyl)-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole
CID 134266186
3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 141396529
4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 112700792

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 101185441) is 2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1ccn2nc(-c3ccccc3Br)nc2n1.
What is the InChIKey of 2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WYECSLCXQKKUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3N4/c13-8-4-2-1-3-7(8)10-18-11-17-9(12(14,15)16)5-6-20(11)19-10/h1-6H.
What are the key properties of 2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 343.11 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 101185441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).