2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C6H3F3N4O — CID 156834148

IUPAC2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESO=c1ccn2nc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)4-11-5-10-3(14)1-2-13(5)12-4/h1-2H,(H,10,11,12,14)
InChIKeyWRGZRKMMQGBQFM-UHFFFAOYSA-N
MW204.11 g/mol
LogP0.44
Rot. Bonds

About 2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 156834148) has the molecular formula C6H3F3N4O and a molecular weight of 204.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID156834148
Molecular FormulaC6H3F3N4O
Molecular Weight204.11 g/mol
Exact Mass204.03
IUPAC Name2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESO=c1ccn2nc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)4-11-5-10-3(14)1-2-13(5)12-4/h1-2H,(H,10,11,12,14)
InChIKeyWRGZRKMMQGBQFM-UHFFFAOYSA-N
XLogP0.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 156834148) is 2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is O=c1ccn2nc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WRGZRKMMQGBQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4O/c7-6(8,9)4-11-5-10-3(14)1-2-13(5)12-4/h1-2H,(H,10,11,12,14).
What are the key properties of 2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 204.11 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 156834148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).