2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one

C6H3F3N4O — CID 135905252

IUPAC2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
SMILESO=c1[nH]ccc2nc(C(F)(F)F)nn12
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)4-11-3-1-2-10-5(14)13(3)12-4/h1-2H,(H,10,14)
InChIKeyBZFNFSDLZWEYPQ-UHFFFAOYSA-N
MW204.11 g/mol
LogP0.44
Rot. Bonds

About 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one

2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one (PubChem CID 135905252) has the molecular formula C6H3F3N4O and a molecular weight of 204.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
PubChem CID135905252
Molecular FormulaC6H3F3N4O
Molecular Weight204.11 g/mol
Exact Mass204.03
IUPAC Name2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
SMILESO=c1[nH]ccc2nc(C(F)(F)F)nn12
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)4-11-3-1-2-10-5(14)13(3)12-4/h1-2H,(H,10,14)
InChIKeyBZFNFSDLZWEYPQ-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

Analyze 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The IUPAC name of 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one (CID 135905252) is 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The canonical SMILES for 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one is O=c1[nH]ccc2nc(C(F)(F)F)nn12.
What is the InChIKey of 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The InChIKey is BZFNFSDLZWEYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4O/c7-6(8,9)4-11-3-1-2-10-5(14)13(3)12-4/h1-2H,(H,10,14).
What are the key properties of 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]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)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 135905252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).