7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

C7H5BrFN3S — CID 169117858

IUPAC7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncc2c(F)cc(Br)n2n1
InChIInChI=1S/C7H5BrFN3S/c1-13-7-10-3-5-4(9)2-6(8)12(5)11-7/h2-3H,1H3
InChIKeyVNVIMWHISOGOLK-UHFFFAOYSA-N
MW262.11 g/mol
LogP2.35
Rot. Bonds1

About 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 169117858) has the molecular formula C7H5BrFN3S and a molecular weight of 262.11 g/mol. Its IUPAC name is 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID169117858
Molecular FormulaC7H5BrFN3S
Molecular Weight262.11 g/mol
Exact Mass260.94
IUPAC Name7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncc2c(F)cc(Br)n2n1
InChIInChI=1S/C7H5BrFN3S/c1-13-7-10-3-5-4(9)2-6(8)12(5)11-7/h2-3H,1H3
InChIKeyVNVIMWHISOGOLK-UHFFFAOYSA-N
XLogP2.35
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (CID 169117858) is 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is CSc1ncc2c(F)cc(Br)n2n1.
What is the InChIKey of 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is VNVIMWHISOGOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFN3S/c1-13-7-10-3-5-4(9)2-6(8)12(5)11-7/h2-3H,1H3.
What are the key properties of 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 262.11 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 169117858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).