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

C9H8F3N5O2 — CID 135400034

IUPACN-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
SMILESCCC(=O)Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12
InChIInChI=1S/C9H8F3N5O2/c1-2-5(18)13-4-3-6(19)14-8-15-7(9(10,11)12)16-17(4)8/h3H,2H2,1H3,(H,13,18)(H,14,15,16,19)
InChIKeyJYWORKXSNDDYOA-UHFFFAOYSA-N
MW275.19 g/mol
LogP0.78
Rot. Bonds2

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

N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide (PubChem CID 135400034) has the molecular formula C9H8F3N5O2 and a molecular weight of 275.19 g/mol. Its IUPAC name is N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide.

Molecular Properties

Compound NameN-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
PubChem CID135400034
Molecular FormulaC9H8F3N5O2
Molecular Weight275.19 g/mol
Exact Mass275.06
IUPAC NameN-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
SMILESCCC(=O)Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12
InChIInChI=1S/C9H8F3N5O2/c1-2-5(18)13-4-3-6(19)14-8-15-7(9(10,11)12)16-17(4)8/h3H,2H2,1H3,(H,13,18)(H,14,15,16,19)
InChIKeyJYWORKXSNDDYOA-UHFFFAOYSA-N
XLogP0.78
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The IUPAC name of N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide (CID 135400034) is N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide.
What is the SMILES notation for N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The canonical SMILES for N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide is CCC(=O)Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12.
What is the InChIKey of N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The InChIKey is JYWORKXSNDDYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O2/c1-2-5(18)13-4-3-6(19)14-8-15-7(9(10,11)12)16-17(4)8/h3H,2H2,1H3,(H,13,18)(H,14,15,16,19).
What are the key properties of N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide has a molecular weight of 275.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide is sourced from PubChem (CID 135400034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).