7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C7H5F3N4O — CID 135415381

IUPAC7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1cc2nc(C(F)(F)F)[nH]c(=O)n2n1
InChIInChI=1S/C7H5F3N4O/c1-3-2-4-11-5(7(8,9)10)12-6(15)14(4)13-3/h2H,1H3,(H,11,12,15)
InChIKeyREUSOIJOEHFAIA-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.74
Rot. Bonds

About 7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 135415381) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID135415381
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1cc2nc(C(F)(F)F)[nH]c(=O)n2n1
InChIInChI=1S/C7H5F3N4O/c1-3-2-4-11-5(7(8,9)10)12-6(15)14(4)13-3/h2H,1H3,(H,11,12,15)
InChIKeyREUSOIJOEHFAIA-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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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 135415381) is 7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is Cc1cc2nc(C(F)(F)F)[nH]c(=O)n2n1.
What is the InChIKey of 7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is REUSOIJOEHFAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-3-2-4-11-5(7(8,9)10)12-6(15)14(4)13-3/h2H,1H3,(H,11,12,15).
What are the key properties of 7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-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 7-methyl-2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 135415381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).