4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C24H21F3N6O — CID 86679767

IUPAC4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc(/C=C/c3ccc4c(cnn4C4CCCCO4)c3)n2)cc1
InChIInChI=1S/C24H21F3N6O/c25-24(26,27)18-6-8-19(9-7-18)31-23-29-15-28-21(32-23)11-5-16-4-10-20-17(13-16)14-30-33(20)22-3-1-2-12-34-22/h4-11,13-15,22H,1-3,12H2,(H,28,29,31,32)/b11-5+
InChIKeyLBOMCPMNWAARLJ-VZUCSPMQSA-N
MW466.47 g/mol
LogP5.85
Rot. Bonds5

About 4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 86679767) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID86679767
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc(/C=C/c3ccc4c(cnn4C4CCCCO4)c3)n2)cc1
InChIInChI=1S/C24H21F3N6O/c25-24(26,27)18-6-8-19(9-7-18)31-23-29-15-28-21(32-23)11-5-16-4-10-20-17(13-16)14-30-33(20)22-3-1-2-12-34-22/h4-11,13-15,22H,1-3,12H2,(H,28,29,31,32)/b11-5+
InChIKeyLBOMCPMNWAARLJ-VZUCSPMQSA-N
XLogP5.85
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 86679767) is 4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is FC(F)(F)c1ccc(Nc2ncnc(/C=C/c3ccc4c(cnn4C4CCCCO4)c3)n2)cc1.
What is the InChIKey of 4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is LBOMCPMNWAARLJ-VZUCSPMQSA-N. The full InChI is InChI=1S/C24H21F3N6O/c25-24(26,27)18-6-8-19(9-7-18)31-23-29-15-28-21(32-23)11-5-16-4-10-20-17(13-16)14-30-33(20)22-3-1-2-12-34-22/h4-11,13-15,22H,1-3,12H2,(H,28,29,31,32)/b11-5+.
What are the key properties of 4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 466.47 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-(oxan-2-yl)indazol-5-yl]ethenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 86679767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).