7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

C10H11F3N4O — CID 166803224

IUPAC7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCC(C)c1n[nH]c(=O)c2cc(CC(F)(F)F)nn12
InChIInChI=1S/C10H11F3N4O/c1-5(2)8-14-15-9(18)7-3-6(16-17(7)8)4-10(11,12)13/h3,5H,4H2,1-2H3,(H,15,18)
InChIKeyUKZJMSCBQUOZBM-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.65
Rot. Bonds2

About 7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 166803224) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID166803224
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCC(C)c1n[nH]c(=O)c2cc(CC(F)(F)F)nn12
InChIInChI=1S/C10H11F3N4O/c1-5(2)8-14-15-9(18)7-3-6(16-17(7)8)4-10(11,12)13/h3,5H,4H2,1-2H3,(H,15,18)
InChIKeyUKZJMSCBQUOZBM-UHFFFAOYSA-N
XLogP1.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 166803224) is 7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is CC(C)c1n[nH]c(=O)c2cc(CC(F)(F)F)nn12.
What is the InChIKey of 7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is UKZJMSCBQUOZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-5(2)8-14-15-9(18)7-3-6(16-17(7)8)4-10(11,12)13/h3,5H,4H2,1-2H3,(H,15,18).
What are the key properties of 7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 260.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 166803224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).