4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H7F3N4O — CID 130287873

IUPAC4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2nc(C(F)(F)F)nc2n1C
InChIInChI=1S/C8H7F3N4O/c1-4-3-5(16)15-7(14(4)2)12-6(13-15)8(9,10)11/h3H,1-2H3
InChIKeyCMWNPNNJXGOMTM-UHFFFAOYSA-N
MW232.16 g/mol
LogP0.76
Rot. Bonds

About 4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 130287873) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID130287873
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC Name4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2nc(C(F)(F)F)nc2n1C
InChIInChI=1S/C8H7F3N4O/c1-4-3-5(16)15-7(14(4)2)12-6(13-15)8(9,10)11/h3H,1-2H3
InChIKeyCMWNPNNJXGOMTM-UHFFFAOYSA-N
XLogP0.76
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 130287873) is 4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2nc(C(F)(F)F)nc2n1C.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CMWNPNNJXGOMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c1-4-3-5(16)15-7(14(4)2)12-6(13-15)8(9,10)11/h3H,1-2H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 232.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130287873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).