6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine

C9H6BrFN4 — CID 91620292

IUPAC6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nnc(Br)c(-c2cccc(F)c2)n1
InChIInChI=1S/C9H6BrFN4/c10-8-7(13-9(12)15-14-8)5-2-1-3-6(11)4-5/h1-4H,(H2,12,13,15)
InChIKeyBWCQOBWJFFLOIH-UHFFFAOYSA-N
MW269.08 g/mol
LogP2.02
Rot. Bonds1

About 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine

6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 91620292) has the molecular formula C9H6BrFN4 and a molecular weight of 269.08 g/mol. Its IUPAC name is 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID91620292
Molecular FormulaC9H6BrFN4
Molecular Weight269.08 g/mol
Exact Mass267.98
IUPAC Name6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nnc(Br)c(-c2cccc(F)c2)n1
InChIInChI=1S/C9H6BrFN4/c10-8-7(13-9(12)15-14-8)5-2-1-3-6(11)4-5/h1-4H,(H2,12,13,15)
InChIKeyBWCQOBWJFFLOIH-UHFFFAOYSA-N
XLogP2.02
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine 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 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine (CID 91620292) is 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine is Nc1nnc(Br)c(-c2cccc(F)c2)n1.
What is the InChIKey of 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is BWCQOBWJFFLOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN4/c10-8-7(13-9(12)15-14-8)5-2-1-3-6(11)4-5/h1-4H,(H2,12,13,15).
What are the key properties of 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 269.08 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 91620292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).