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

C13H10F5N5O — CID 167974753

IUPACN-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H10F5N5O/c14-8-2-1-7(5-9(8)15)19-12(24)22-3-4-23-10(6-22)20-21-11(23)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,24)
InChIKeyIHQZBRLUOGNZMQ-UHFFFAOYSA-N
MW347.25 g/mol
LogP2.62
Rot. Bonds1

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

N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 167974753) has the molecular formula C13H10F5N5O and a molecular weight of 347.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID167974753
Molecular FormulaC13H10F5N5O
Molecular Weight347.25 g/mol
Exact Mass347.08
IUPAC NameN-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H10F5N5O/c14-8-2-1-7(5-9(8)15)19-12(24)22-3-4-23-10(6-22)20-21-11(23)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,24)
InChIKeyIHQZBRLUOGNZMQ-UHFFFAOYSA-N
XLogP2.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 167974753) is N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is IHQZBRLUOGNZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5N5O/c14-8-2-1-7(5-9(8)15)19-12(24)22-3-4-23-10(6-22)20-21-11(23)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,24).
What are the key properties of N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 347.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 167974753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).