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

C7H5F3N4O — CID 165474501

IUPAC2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(C(F)(F)F)n2n1
InChIInChI=1S/C7H5F3N4O/c1-3-11-6-12-5(15)2-4(7(8,9)10)14(6)13-3/h2H,1H3,(H,11,12,13,15)
InChIKeyCQUFOGYLNCUGIY-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.74
Rot. Bonds

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

2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 165474501) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID165474501
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(C(F)(F)F)n2n1
InChIInChI=1S/C7H5F3N4O/c1-3-11-6-12-5(15)2-4(7(8,9)10)14(6)13-3/h2H,1H3,(H,11,12,13,15)
InChIKeyCQUFOGYLNCUGIY-UHFFFAOYSA-N
XLogP0.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135984239
6-Chloro-5-methyl-3-trifluoromethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-ol
CID 135403461
4,5-Dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287873
2,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1h)-one
CID 135562688
2-(3-methyl-1,2,4-triazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 172330599
7-hydroxy-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 178782748
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 135400034
2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 135456272
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide
CID 135519707
7-Amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 135906284
7-Amino-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-ol hydrochloride
CID 137129998
7-(Difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165474559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 165474501) is 2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1nc2[nH]c(=O)cc(C(F)(F)F)n2n1.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is CQUFOGYLNCUGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-3-11-6-12-5(15)2-4(7(8,9)10)14(6)13-3/h2H,1H3,(H,11,12,13,15).
What are the key properties of 2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 218.14 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 165474501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).