2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H12F4N6O2 — CID 1444356

IUPAC2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F4N6O2/c20-11-5-7-12(8-6-11)29-17-13(9-24-29)18(31)28(27-26-17)10-16(30)25-15-4-2-1-3-14(15)19(21,22)23/h1-9H,10H2,(H,25,30)
InChIKeyVMTXITNGAHJHKW-UHFFFAOYSA-N
MW432.34 g/mol
LogP2.77
Rot. Bonds4

About 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1444356) has the molecular formula C19H12F4N6O2 and a molecular weight of 432.34 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1444356
Molecular FormulaC19H12F4N6O2
Molecular Weight432.34 g/mol
Exact Mass432.10
IUPAC Name2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F4N6O2/c20-11-5-7-12(8-6-11)29-17-13(9-24-29)18(31)28(27-26-17)10-16(30)25-15-4-2-1-3-14(15)19(21,22)23/h1-9H,10H2,(H,25,30)
InChIKeyVMTXITNGAHJHKW-UHFFFAOYSA-N
XLogP2.77
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1444356) is 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VMTXITNGAHJHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N6O2/c20-11-5-7-12(8-6-11)29-17-13(9-24-29)18(31)28(27-26-17)10-16(30)25-15-4-2-1-3-14(15)19(21,22)23/h1-9H,10H2,(H,25,30).
What are the key properties of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 432.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1444356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).