5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine

C16H11F4N5 — CID 67364157

IUPAC5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H11F4N5/c1-8-6-10(7-12(22-8)16(18,19)20)14-13(23-15(21)25-24-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,21,23,25)
InChIKeyGIFJFWNMMFGQLP-UHFFFAOYSA-N
MW349.29 g/mol
LogP3.65
Rot. Bonds2

About 5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine

5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine (PubChem CID 67364157) has the molecular formula C16H11F4N5 and a molecular weight of 349.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine
PubChem CID67364157
Molecular FormulaC16H11F4N5
Molecular Weight349.29 g/mol
Exact Mass349.10
IUPAC Name5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H11F4N5/c1-8-6-10(7-12(22-8)16(18,19)20)14-13(23-15(21)25-24-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,21,23,25)
InChIKeyGIFJFWNMMFGQLP-UHFFFAOYSA-N
XLogP3.65
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine (CID 67364157) is 5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine?
The InChIKey is GIFJFWNMMFGQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N5/c1-8-6-10(7-12(22-8)16(18,19)20)14-13(23-15(21)25-24-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,21,23,25).
What are the key properties of 5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine?
5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine has a molecular weight of 349.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 67364157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).