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

C9H6BrFN4 — CID 116823067

IUPAC6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine
SMILESNc1ncnnc1-c1cc(Br)ccc1F
InChIInChI=1S/C9H6BrFN4/c10-5-1-2-7(11)6(3-5)8-9(12)13-4-14-15-8/h1-4H,(H2,12,13,14)
InChIKeyAVYSVIMSPITNHE-UHFFFAOYSA-N
MW269.08 g/mol
LogP2.02
Rot. Bonds1

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

6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 116823067) has the molecular formula C9H6BrFN4 and a molecular weight of 269.08 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine
PubChem CID116823067
Molecular FormulaC9H6BrFN4
Molecular Weight269.08 g/mol
Exact Mass267.98
IUPAC Name6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine
SMILESNc1ncnnc1-c1cc(Br)ccc1F
InChIInChI=1S/C9H6BrFN4/c10-5-1-2-7(11)6(3-5)8-9(12)13-4-14-15-8/h1-4H,(H2,12,13,14)
InChIKeyAVYSVIMSPITNHE-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-(4-Bromophenyl)-1,2,4-triazin-3-amine
CID 7176091
N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine
CID 6401387
6-(3-Bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 44531118
6-(4-Fluorophenyl)-1,2,4-triazine-5-carbonitrile
CID 6405068
5-Methyl-6-phenyl-1,2,4-triazine
CID 12253992
6-(4-Bromo-3-fluorophenyl)-1,2,4-triazin-3-amine
CID 57516523
6-(2-Fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 68690921
6-(3,4-Difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 86229085
6-(4-Bromophenyl)-3-(trifluoromethyl)-1,2,4-triazine
CID 177851229
6-Phenyl-1,2,4-triazin-5-amine
CID 6405099
3,5-Diamino-6-(2-bromophenyl)-1,2,4-tri-azine
CID 23311131
6-Bromo-5-phenyl-1,2,4-triazin-3-amine
CID 86676114

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine (CID 116823067) is 6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine is Nc1ncnnc1-c1cc(Br)ccc1F.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is AVYSVIMSPITNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN4/c10-5-1-2-7(11)6(3-5)8-9(12)13-4-14-15-8/h1-4H,(H2,12,13,14).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine?
6-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-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-(5-bromo-2-fluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).