2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid

C14H9F3N4O3 — CID 56771106

IUPAC2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
SMILESO=C(O)Cn1ncn2nc(-c3cccc(C(F)(F)F)c3)cc2c1=O
InChIInChI=1S/C14H9F3N4O3/c15-14(16,17)9-3-1-2-8(4-9)10-5-11-13(24)20(6-12(22)23)18-7-21(11)19-10/h1-5,7H,6H2,(H,22,23)
InChIKeyWASHTBONOXQJSJ-UHFFFAOYSA-N
MW338.25 g/mol
LogP1.66
Rot. Bonds3

About 2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid

2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid (PubChem CID 56771106) has the molecular formula C14H9F3N4O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
PubChem CID56771106
Molecular FormulaC14H9F3N4O3
Molecular Weight338.25 g/mol
Exact Mass338.06
IUPAC Name2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
SMILESO=C(O)Cn1ncn2nc(-c3cccc(C(F)(F)F)c3)cc2c1=O
InChIInChI=1S/C14H9F3N4O3/c15-14(16,17)9-3-1-2-8(4-9)10-5-11-13(24)20(6-12(22)23)18-7-21(11)19-10/h1-5,7H,6H2,(H,22,23)
InChIKeyWASHTBONOXQJSJ-UHFFFAOYSA-N
XLogP1.66
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 56771119
2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 71802717
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50926052
2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331785
2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid
CID 155389957
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926077
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279274
N-ethyl-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-phenylacetamide
CID 29279203
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953502
2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-propan-2-ylacetamide
CID 22513267
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 29279136
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55829629

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid?
The IUPAC name of 2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid (CID 56771106) is 2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid is O=C(O)Cn1ncn2nc(-c3cccc(C(F)(F)F)c3)cc2c1=O.
What is the InChIKey of 2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid?
The InChIKey is WASHTBONOXQJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3/c15-14(16,17)9-3-1-2-8(4-9)10-5-11-13(24)20(6-12(22)23)18-7-21(11)19-10/h1-5,7H,6H2,(H,22,23).
What are the key properties of 2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid?
2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid has a molecular weight of 338.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid is sourced from PubChem (CID 56771106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).