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

C8H6F3N5O2 — CID 540552

IUPACN-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc2nc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C8H6F3N5O2/c1-3(17)12-6-14-7-13-4(8(9,10)11)2-5(18)16(7)15-6/h2H,1H3,(H2,12,13,14,15,17)
InChIKeyAQKOVFZLERXFCT-UHFFFAOYSA-N
MW261.16 g/mol
LogP0.39
Rot. Bonds1

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

N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 540552) has the molecular formula C8H6F3N5O2 and a molecular weight of 261.16 g/mol. Its IUPAC name is N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID540552
Molecular FormulaC8H6F3N5O2
Molecular Weight261.16 g/mol
Exact Mass261.05
IUPAC NameN-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc2nc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C8H6F3N5O2/c1-3(17)12-6-14-7-13-4(8(9,10)11)2-5(18)16(7)15-6/h2H,1H3,(H2,12,13,14,15,17)
InChIKeyAQKOVFZLERXFCT-UHFFFAOYSA-N
XLogP0.39
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-methyl-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
CID 350273
5-methyl-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 518310
2,3-Diamino-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 1485918
6-methyl-2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-4(3H)-pyrimidinone
CID 135464837
5-(trifluoromethyl)-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
CID 1254610
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 930424
2-Amino-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 612884
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
CID 930740
5-(Difluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 4766484
N'-(4-hydroxy-6-methylpyrimidin-2-yl)acetohydrazide
CID 135431274
2-Methyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1500130
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 930380

Frequently Asked Questions

What is the IUPAC name of N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 540552) is N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is CC(=O)Nc1nc2nc(C(F)(F)F)cc(=O)n2[nH]1.
What is the InChIKey of N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is AQKOVFZLERXFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5O2/c1-3(17)12-6-14-7-13-4(8(9,10)11)2-5(18)16(7)15-6/h2H,1H3,(H2,12,13,14,15,17).
What are the key properties of N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 261.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-oxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 540552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).