5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol

C22H18F3N5O — CID 118034583

IUPAC5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol
SMILESNc1ncnn2c(C3CCc4ccccc4C3)nc(-c3ccc(C(F)(F)F)c(O)c3)c12
InChIInChI=1S/C22H18F3N5O/c23-22(24,25)16-8-7-14(10-17(16)31)18-19-20(26)27-11-28-30(19)21(29-18)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,7-8,10-11,15,31H,5-6,9H2,(H2,26,27,28)
InChIKeyYPFFGXROLKSKHJ-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.37
Rot. Bonds2

About 5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol

5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol (PubChem CID 118034583) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is 5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol
PubChem CID118034583
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC Name5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol
SMILESNc1ncnn2c(C3CCc4ccccc4C3)nc(-c3ccc(C(F)(F)F)c(O)c3)c12
InChIInChI=1S/C22H18F3N5O/c23-22(24,25)16-8-7-14(10-17(16)31)18-19-20(26)27-11-28-30(19)21(29-18)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,7-8,10-11,15,31H,5-6,9H2,(H2,26,27,28)
InChIKeyYPFFGXROLKSKHJ-UHFFFAOYSA-N
XLogP4.37
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol?
The IUPAC name of 5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol (CID 118034583) is 5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol is Nc1ncnn2c(C3CCc4ccccc4C3)nc(-c3ccc(C(F)(F)F)c(O)c3)c12.
What is the InChIKey of 5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol?
The InChIKey is YPFFGXROLKSKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c23-22(24,25)16-8-7-14(10-17(16)31)18-19-20(26)27-11-28-30(19)21(29-18)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,7-8,10-11,15,31H,5-6,9H2,(H2,26,27,28).
What are the key properties of 5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol?
5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol has a molecular weight of 425.41 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 118034583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).