4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine

C17H10F3N5O — CID 135262418

IUPAC4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESFC(F)(F)c1nccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1
InChIInChI=1S/C17H10F3N5O/c18-17(19,20)16-21-9-8-12(22-16)14-23-15(13-7-4-10-25(13)24-14)26-11-5-2-1-3-6-11/h1-10H
InChIKeyIXBGIXCLIAHXAV-UHFFFAOYSA-N
MW357.30 g/mol
LogP4.00
Rot. Bonds3

About 4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine

4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 135262418) has the molecular formula C17H10F3N5O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID135262418
Molecular FormulaC17H10F3N5O
Molecular Weight357.30 g/mol
Exact Mass357.08
IUPAC Name4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESFC(F)(F)c1nccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1
InChIInChI=1S/C17H10F3N5O/c18-17(19,20)16-21-9-8-12(22-16)14-23-15(13-7-4-10-25(13)24-14)26-11-5-2-1-3-6-11/h1-10H
InChIKeyIXBGIXCLIAHXAV-UHFFFAOYSA-N
XLogP4.00
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
CID 72165213
3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9888315
7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9909977
3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406861
3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406877
3-(2,5-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406904
7-(2,6-Difluorophenyl)-3-(2-fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406905
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
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1-(5-Fluoro-2-methoxyphenyl)-4-[1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine
CID 72547759
Lmtk3-IN-1
CID 138454301
2-Methyl-6-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)imidazo[1,2-b]pyridazine
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US9765058, Example 2-2-10
CID 86580572

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine (CID 135262418) is 4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine is FC(F)(F)c1nccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.
What is the InChIKey of 4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is IXBGIXCLIAHXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O/c18-17(19,20)16-21-9-8-12(22-16)14-23-15(13-7-4-10-25(13)24-14)26-11-5-2-1-3-6-11/h1-10H.
What are the key properties of 4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine?
4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 357.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 135262418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).