2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide

C10H10F3N5O2 — CID 135456272

IUPAC2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
SMILESCC(C)C(=O)Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12
InChIInChI=1S/C10H10F3N5O2/c1-4(2)7(20)14-5-3-6(19)15-9-16-8(10(11,12)13)17-18(5)9/h3-4H,1-2H3,(H,14,20)(H,15,16,17,19)
InChIKeyWAIBTJCBIRCVFF-UHFFFAOYSA-N
MW289.22 g/mol
LogP1.03
Rot. Bonds2

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

2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide (PubChem CID 135456272) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
PubChem CID135456272
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC Name2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
SMILESCC(C)C(=O)Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12
InChIInChI=1S/C10H10F3N5O2/c1-4(2)7(20)14-5-3-6(19)15-9-16-8(10(11,12)13)17-18(5)9/h3-4H,1-2H3,(H,14,20)(H,15,16,17,19)
InChIKeyWAIBTJCBIRCVFF-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide (CID 135456272) is 2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide is CC(C)C(=O)Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12.
What is the InChIKey of 2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The InChIKey is WAIBTJCBIRCVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-4(2)7(20)14-5-3-6(19)15-9-16-8(10(11,12)13)17-18(5)9/h3-4H,1-2H3,(H,14,20)(H,15,16,17,19).
What are the key properties of 2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide has a molecular weight of 289.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide is sourced from PubChem (CID 135456272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).