2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine

C13H7BrF3N3O — CID 172551718

IUPAC2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine
SMILESFC(F)(F)Oc1ccc(-c2ccc3cnc(Br)nn23)cc1
InChIInChI=1S/C13H7BrF3N3O/c14-12-18-7-9-3-6-11(20(9)19-12)8-1-4-10(5-2-8)21-13(15,16)17/h1-7H
InChIKeyLBZATFBRSMTROP-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.06
Rot. Bonds2

About 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine

2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 172551718) has the molecular formula C13H7BrF3N3O and a molecular weight of 358.12 g/mol. Its IUPAC name is 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID172551718
Molecular FormulaC13H7BrF3N3O
Molecular Weight358.12 g/mol
Exact Mass356.97
IUPAC Name2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine
SMILESFC(F)(F)Oc1ccc(-c2ccc3cnc(Br)nn23)cc1
InChIInChI=1S/C13H7BrF3N3O/c14-12-18-7-9-3-6-11(20(9)19-12)8-1-4-10(5-2-8)21-13(15,16)17/h1-7H
InChIKeyLBZATFBRSMTROP-UHFFFAOYSA-N
XLogP4.06
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 134354899
1-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 165482366
2-[5-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]pyridine
CID 174688521
3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
CID 134560300
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 168825423
3-bromo-1-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 155581393
1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
CID 142362262
1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole
CID 174608293
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
CID 155338075
1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine
CID 146619131

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine (CID 172551718) is 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine is FC(F)(F)Oc1ccc(-c2ccc3cnc(Br)nn23)cc1.
What is the InChIKey of 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is LBZATFBRSMTROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3O/c14-12-18-7-9-3-6-11(20(9)19-12)8-1-4-10(5-2-8)21-13(15,16)17/h1-7H.
What are the key properties of 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine?
2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 358.12 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 172551718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).