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

C9H7FN4 — CID 67224067

IUPAC6-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1ncc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C9H7FN4/c10-7-3-1-6(2-4-7)8-5-12-9(11)14-13-8/h1-5H,(H2,11,12,14)
InChIKeyLBLLDDIKZGADLZ-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.26
Rot. Bonds1

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

6-(4-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 67224067) has the molecular formula C9H7FN4 and a molecular weight of 190.18 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID67224067
Molecular FormulaC9H7FN4
Molecular Weight190.18 g/mol
Exact Mass190.07
IUPAC Name6-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1ncc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C9H7FN4/c10-7-3-1-6(2-4-7)8-5-12-9(11)14-13-8/h1-5H,(H2,11,12,14)
InChIKeyLBLLDDIKZGADLZ-UHFFFAOYSA-N
XLogP1.26
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)-1,2,4-triazin-3-amine (CID 67224067) is 6-(4-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)-1,2,4-triazin-3-amine is Nc1ncc(-c2ccc(F)cc2)nn1.
What is the InChIKey of 6-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is LBLLDDIKZGADLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4/c10-7-3-1-6(2-4-7)8-5-12-9(11)14-13-8/h1-5H,(H2,11,12,14).
What are the key properties of 6-(4-fluorophenyl)-1,2,4-triazin-3-amine?
6-(4-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 190.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 67224067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).