4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C16H11F3N8 — CID 1266909

IUPAC4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-n3ccnc3)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C16H11F3N8/c17-16(18,19)11-2-1-3-12(8-11)22-13-23-14(26-6-4-20-9-26)25-15(24-13)27-7-5-21-10-27/h1-10H,(H,22,23,24,25)
InChIKeyYFXCOGHKTYXTCA-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.01
Rot. Bonds4

About 4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 1266909) has the molecular formula C16H11F3N8 and a molecular weight of 372.31 g/mol. Its IUPAC name is 4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID1266909
Molecular FormulaC16H11F3N8
Molecular Weight372.31 g/mol
Exact Mass372.11
IUPAC Name4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-n3ccnc3)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C16H11F3N8/c17-16(18,19)11-2-1-3-12(8-11)22-13-23-14(26-6-4-20-9-26)25-15(24-13)27-7-5-21-10-27/h1-10H,(H,22,23,24,25)
InChIKeyYFXCOGHKTYXTCA-UHFFFAOYSA-N
XLogP3.01
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1H-Imidazol-1-ylmethyl)aniline
CID 6481821
2,4-Disubstituted Pyrimidine 2k
CID 5329424
2,4-Disubstituted Pyrimidine 2l
CID 5329425
2,4-Disubstituted Pyrimidine 3a
CID 5329426
4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl
CID 57393199
4-((1H-Imidazol-4-yl)methyl)-1-(3-(trifluoromethyl)-phenyl)piperidine
CID 49799506
N'-butyl-6-(1H-imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3237452
N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347169
3-(5-Imidazol-1-ylmethyl-pyridin-2-yl)-phenylamine
CID 44456104
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5-[6-methyl-5-(4-methylimidazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-amine
CID 67606625
4,6-di(1H-imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine
CID 1266897
US9981950, Example 113B
CID 118870083

Frequently Asked Questions

What is the IUPAC name of 4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 1266909) is 4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is FC(F)(F)c1cccc(Nc2nc(-n3ccnc3)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is YFXCOGHKTYXTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N8/c17-16(18,19)11-2-1-3-12(8-11)22-13-23-14(26-6-4-20-9-26)25-15(24-13)27-7-5-21-10-27/h1-10H,(H,22,23,24,25).
What are the key properties of 4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 372.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 1266909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).