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

C9H6BrFN4 — CID 86676117

IUPAC6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nnc(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C9H6BrFN4/c10-8-7(13-9(12)15-14-8)5-1-3-6(11)4-2-5/h1-4H,(H2,12,13,15)
InChIKeyMCPCKCYTZUJYKK-UHFFFAOYSA-N
MW269.08 g/mol
LogP2.02
Rot. Bonds1

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

6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 86676117) has the molecular formula C9H6BrFN4 and a molecular weight of 269.08 g/mol. Its IUPAC name is 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID86676117
Molecular FormulaC9H6BrFN4
Molecular Weight269.08 g/mol
Exact Mass267.98
IUPAC Name6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nnc(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C9H6BrFN4/c10-8-7(13-9(12)15-14-8)5-1-3-6(11)4-2-5/h1-4H,(H2,12,13,15)
InChIKeyMCPCKCYTZUJYKK-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

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Related Compounds

5,6-Diphenyl-1,2,4-triazin-3-amine
CID 78268
3-Hydrazino-5,6-diphenyl-1,2,4-triazine
CID 601464
5-(4-Bromophenyl)-1,2,4-triazin-3-amine
CID 7176091
6-Phenyl-1,2,4-triazine-3,5-diamine
CID 21814735
3,5-Diamino-6-[p-trifluoromethylphenyl]-1,2,4-triazine
CID 604039
3,5-Diamino-6-[m-trifluoromethylphenyl]-1,2,4-triazine
CID 604040
5-Phenyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 53354629
US10988455, Example 1(ccxii)
CID 87371875
5-(4-Fluorophenyl)-1,2,4-triazin-3-amine
CID 7176088
5-(3-Fluorophenyl)-1,2,4-triazin-3-amine
CID 43134488
5-(2,5-Difluorophenyl)-1,2,4-triazin-3-amine
CID 43134505
5-(3,4-Difluorophenyl)-1,2,4-triazin-3-amine
CID 43134548

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (CID 86676117) is 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is Nc1nnc(Br)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is MCPCKCYTZUJYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN4/c10-8-7(13-9(12)15-14-8)5-1-3-6(11)4-2-5/h1-4H,(H2,12,13,15).
What are the key properties of 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
6-bromo-5-(4-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-(4-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 86676117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).