N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide

C10H10F3N5O2 — CID 606146

IUPACN-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1c(C)nc2nc(NC(=O)C(F)(F)F)[nH]n2c1=O
InChIInChI=1S/C10H10F3N5O2/c1-3-5-4(2)14-9-16-8(17-18(9)6(5)19)15-7(20)10(11,12)13/h3H2,1-2H3,(H2,14,15,16,17,20)
InChIKeyDIMYENUAZNDQSZ-UHFFFAOYSA-N
MW289.22 g/mol
LogP0.79
Rot. Bonds2

About N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide

N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 606146) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide
PubChem CID606146
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC NameN-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1c(C)nc2nc(NC(=O)C(F)(F)F)[nH]n2c1=O
InChIInChI=1S/C10H10F3N5O2/c1-3-5-4(2)14-9-16-8(17-18(9)6(5)19)15-7(20)10(11,12)13/h3H2,1-2H3,(H2,14,15,16,17,20)
InChIKeyDIMYENUAZNDQSZ-UHFFFAOYSA-N
XLogP0.79
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide (CID 606146) is N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide is CCc1c(C)nc2nc(NC(=O)C(F)(F)F)[nH]n2c1=O.
What is the InChIKey of N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is DIMYENUAZNDQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-3-5-4(2)14-9-16-8(17-18(9)6(5)19)15-7(20)10(11,12)13/h3H2,1-2H3,(H2,14,15,16,17,20).
What are the key properties of N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide?
N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 289.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 606146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).