6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine

C20H11F4N5 — CID 146048319

IUPAC6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1cc(Nc2nc(-c3ccccn3)nnc2-c2ccccc2)c(F)c(F)c1F
InChIInChI=1S/C20H11F4N5/c21-12-10-14(16(23)17(24)15(12)22)26-20-18(11-6-2-1-3-7-11)28-29-19(27-20)13-8-4-5-9-25-13/h1-10H,(H,26,27,29)
InChIKeyVGNFHNVPLVTAIZ-UHFFFAOYSA-N
MW397.34 g/mol
LogP4.90
Rot. Bonds4

About 6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine

6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 146048319) has the molecular formula C20H11F4N5 and a molecular weight of 397.34 g/mol. Its IUPAC name is 6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine
PubChem CID146048319
Molecular FormulaC20H11F4N5
Molecular Weight397.34 g/mol
Exact Mass397.10
IUPAC Name6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1cc(Nc2nc(-c3ccccn3)nnc2-c2ccccc2)c(F)c(F)c1F
InChIInChI=1S/C20H11F4N5/c21-12-10-14(16(23)17(24)15(12)22)26-20-18(11-6-2-1-3-7-11)28-29-19(27-20)13-8-4-5-9-25-13/h1-10H,(H,26,27,29)
InChIKeyVGNFHNVPLVTAIZ-UHFFFAOYSA-N
XLogP4.90
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 146048292
5-chloro-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 14642993
5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405145
N-(2-phenylethyl)-4-[6-[4-(2-phenylethylamino)phenyl]-3-pyridin-2-yl-1,2,4-triazin-5-yl]aniline
CID 122393685
7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole
CID 172635167
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767
6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine
CID 45099949
6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405118
(3,6-diphenyl-1,2,4-triazin-5-yl)hydrazine
CID 6405036
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499823
N-[1-(1-adamantyl)ethyl]-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 169452378
N-(3-methylbutyl)-4-[6-[4-(3-methylbutylamino)phenyl]-3-pyridin-2-yl-1,2,4-triazin-5-yl]aniline
CID 122393679

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine (CID 146048319) is 6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine is Fc1cc(Nc2nc(-c3ccccn3)nnc2-c2ccccc2)c(F)c(F)c1F.
What is the InChIKey of 6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is VGNFHNVPLVTAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4N5/c21-12-10-14(16(23)17(24)15(12)22)26-20-18(11-6-2-1-3-7-11)28-29-19(27-20)13-8-4-5-9-25-13/h1-10H,(H,26,27,29).
What are the key properties of 6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine?
6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 397.34 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 146048319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).