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

C24H23F3N6O — CID 86679768

IUPAC4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc(CCc3ccc4c(cnn4C4CCCCO4)c3)n2)cc1
InChIInChI=1S/C24H23F3N6O/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/h4,6-10,13-15,22H,1-3,5,11-12H2,(H,28,29,31,32)
InChIKeyWBOMAZIBBQSHRA-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.47
Rot. Bonds6

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

4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 86679768) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID86679768
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc(CCc3ccc4c(cnn4C4CCCCO4)c3)n2)cc1
InChIInChI=1S/C24H23F3N6O/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/h4,6-10,13-15,22H,1-3,5,11-12H2,(H,28,29,31,32)
InChIKeyWBOMAZIBBQSHRA-UHFFFAOYSA-N
XLogP5.47
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 57
CID 6539399
Pyrazolo[1,5-b]pyridazine deriv. 58
CID 6539400
Pyrazolo[1,5-b]pyridazine deriv. 59
CID 6539401
Pyrazolo[1,5-b]pyridazine deriv. 60
CID 6539402
Pyrazolo[1,5-b]pyridazine deriv. 63
CID 6539405
Pyrazolo[1,5-b]pyridazine deriv. 65
CID 6539407
Pyrazolo[1,5-b]pyridazine deriv. 78
CID 6539420
Pyrazolo[1,5-b]pyridazine deriv. 79
CID 6539421
Pyrazolo[1,5-b]pyridazine deriv. 88
CID 6539430
Pyrazolo[1,5-b]pyridazine deriv. 89
CID 6539431
Pyrazolo[1,5-b]pyridazine deriv. 92
CID 6539434
Pyrazolo[1,5-b]pyridazine deriv. 52
CID 6539394

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 86679768) is 4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is FC(F)(F)c1ccc(Nc2ncnc(CCc3ccc4c(cnn4C4CCCCO4)c3)n2)cc1.
What is the InChIKey of 4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is WBOMAZIBBQSHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/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/h4,6-10,13-15,22H,1-3,5,11-12H2,(H,28,29,31,32).
What are the key properties of 4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 468.48 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(oxan-2-yl)indazol-5-yl]ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 86679768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).