6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide

C15H12F3N5O2 — CID 71791869

IUPAC6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cn2nnc(C(=O)NCc3ccccc3C(F)(F)F)c2c(=O)[nH]1
InChIInChI=1S/C15H12F3N5O2/c1-8-7-23-12(14(25)20-8)11(21-22-23)13(24)19-6-9-4-2-3-5-10(9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,24)(H,20,25)
InChIKeyAWJGOKRRBSHNKU-UHFFFAOYSA-N
MW351.29 g/mol
LogP1.67
Rot. Bonds3

About 6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide

6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 71791869) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID71791869
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cn2nnc(C(=O)NCc3ccccc3C(F)(F)F)c2c(=O)[nH]1
InChIInChI=1S/C15H12F3N5O2/c1-8-7-23-12(14(25)20-8)11(21-22-23)13(24)19-6-9-4-2-3-5-10(9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,24)(H,20,25)
InChIKeyAWJGOKRRBSHNKU-UHFFFAOYSA-N
XLogP1.67
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 71791869) is 6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide is Cc1cn2nnc(C(=O)NCc3ccccc3C(F)(F)F)c2c(=O)[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is AWJGOKRRBSHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-8-7-23-12(14(25)20-8)11(21-22-23)13(24)19-6-9-4-2-3-5-10(9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,24)(H,20,25).
What are the key properties of 6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 351.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71791869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).