N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C13H11F4N5O — CID 167749284

IUPACN-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H11F4N5O/c14-8-1-3-9(4-2-8)18-12(23)21-5-6-22-10(7-21)19-20-11(22)13(15,16)17/h1-4H,5-7H2,(H,18,23)
InChIKeyPLFLEOHHCFPHJN-UHFFFAOYSA-N
MW329.26 g/mol
LogP2.48
Rot. Bonds1

About N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 167749284) has the molecular formula C13H11F4N5O and a molecular weight of 329.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID167749284
Molecular FormulaC13H11F4N5O
Molecular Weight329.26 g/mol
Exact Mass329.09
IUPAC NameN-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H11F4N5O/c14-8-1-3-9(4-2-8)18-12(23)21-5-6-22-10(7-21)19-20-11(22)13(15,16)17/h1-4H,5-7H2,(H,18,23)
InChIKeyPLFLEOHHCFPHJN-UHFFFAOYSA-N
XLogP2.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 167749284) is N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is O=C(Nc1ccc(F)cc1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is PLFLEOHHCFPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N5O/c14-8-1-3-9(4-2-8)18-12(23)21-5-6-22-10(7-21)19-20-11(22)13(15,16)17/h1-4H,5-7H2,(H,18,23).
What are the key properties of N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 329.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 167749284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).