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

C11H10BrFN4 — CID 116823627

IUPAC6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
SMILESCNc1nc(C)nnc1-c1cc(Br)ccc1F
InChIInChI=1S/C11H10BrFN4/c1-6-15-11(14-2)10(17-16-6)8-5-7(12)3-4-9(8)13/h3-5H,1-2H3,(H,14,15,16)
InChIKeyZSCPXFDJWVEMSX-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.79
Rot. Bonds2

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

6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine (PubChem CID 116823627) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
PubChem CID116823627
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
SMILESCNc1nc(C)nnc1-c1cc(Br)ccc1F
InChIInChI=1S/C11H10BrFN4/c1-6-15-11(14-2)10(17-16-6)8-5-7(12)3-4-9(8)13/h3-5H,1-2H3,(H,14,15,16)
InChIKeyZSCPXFDJWVEMSX-UHFFFAOYSA-N
XLogP2.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine (CID 116823627) is 6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine is CNc1nc(C)nnc1-c1cc(Br)ccc1F.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
The InChIKey is ZSCPXFDJWVEMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c1-6-15-11(14-2)10(17-16-6)8-5-7(12)3-4-9(8)13/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine?
6-(5-bromo-2-fluorophenyl)-N,3-dimethyl-1,2,4-triazin-5-amine has a molecular weight of 297.13 g/mol, XLogP of 2.79, 2 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)-N,3-dimethyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).