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

C10H10F3N5O2 — CID 135519707

IUPACN-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide
SMILESCCCC(=O)Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12
InChIInChI=1S/C10H10F3N5O2/c1-2-3-6(19)14-5-4-7(20)15-9-16-8(10(11,12)13)17-18(5)9/h4H,2-3H2,1H3,(H,14,19)(H,15,16,17,20)
InChIKeyHSZJUXUXKPVVGI-UHFFFAOYSA-N
MW289.22 g/mol
LogP1.17
Rot. Bonds3

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

N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide (PubChem CID 135519707) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide.

Molecular Properties

Compound NameN-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide
PubChem CID135519707
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC NameN-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide
SMILESCCCC(=O)Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12
InChIInChI=1S/C10H10F3N5O2/c1-2-3-6(19)14-5-4-7(20)15-9-16-8(10(11,12)13)17-18(5)9/h4H,2-3H2,1H3,(H,14,19)(H,15,16,17,20)
InChIKeyHSZJUXUXKPVVGI-UHFFFAOYSA-N
XLogP1.17
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 51.17
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]butanamide?
The IUPAC name of N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide (CID 135519707) is N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide.
What is the SMILES notation for N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide?
The canonical SMILES for N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide is CCCC(=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]butanamide?
The InChIKey is HSZJUXUXKPVVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-2-3-6(19)14-5-4-7(20)15-9-16-8(10(11,12)13)17-18(5)9/h4H,2-3H2,1H3,(H,14,19)(H,15,16,17,20).
What are the key properties of N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide?
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide has a molecular weight of 289.22 g/mol, XLogP of 1.17, 3 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]butanamide is sourced from PubChem (CID 135519707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).