5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine

C15H9F3N4 — CID 53354626

IUPAC5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cc(F)c(F)c(F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C15H9F3N4/c16-10-6-9(7-11(17)12(10)18)14-13(20-15(19)22-21-14)8-4-2-1-3-5-8/h1-7H,(H2,19,20,22)
InChIKeyUMKJHJCZORSRRS-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.21
Rot. Bonds2

About 5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine

5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 53354626) has the molecular formula C15H9F3N4 and a molecular weight of 302.26 g/mol. Its IUPAC name is 5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine
PubChem CID53354626
Molecular FormulaC15H9F3N4
Molecular Weight302.26 g/mol
Exact Mass302.08
IUPAC Name5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cc(F)c(F)c(F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C15H9F3N4/c16-10-6-9(7-11(17)12(10)18)14-13(20-15(19)22-21-14)8-4-2-1-3-5-8/h1-7H,(H2,19,20,22)
InChIKeyUMKJHJCZORSRRS-UHFFFAOYSA-N
XLogP3.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine (CID 53354626) is 5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine is Nc1nnc(-c2cc(F)c(F)c(F)c2)c(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is UMKJHJCZORSRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4/c16-10-6-9(7-11(17)12(10)18)14-13(20-15(19)22-21-14)8-4-2-1-3-5-8/h1-7H,(H2,19,20,22).
What are the key properties of 5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine?
5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 302.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-(3,4,5-trifluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 53354626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).