7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one

C18H11F2N5O2 — CID 647350

IUPAC7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one
SMILESO=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1F
InChIInChI=1S/C18H11F2N5O2/c19-11-5-7-12(8-6-11)25-17-14(9-21-25)18(27)24(23-22-17)10-16(26)13-3-1-2-4-15(13)20/h1-9H,10H2
InChIKeyJFBWZKKFAPIBBS-UHFFFAOYSA-N
MW367.32 g/mol
LogP2.14
Rot. Bonds4

About 7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one

7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one (PubChem CID 647350) has the molecular formula C18H11F2N5O2 and a molecular weight of 367.32 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one
PubChem CID647350
Molecular FormulaC18H11F2N5O2
Molecular Weight367.32 g/mol
Exact Mass367.09
IUPAC Name7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one
SMILESO=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1F
InChIInChI=1S/C18H11F2N5O2/c19-11-5-7-12(8-6-11)25-17-14(9-21-25)18(27)24(23-22-17)10-16(26)13-3-1-2-4-15(13)20/h1-9H,10H2
InChIKeyJFBWZKKFAPIBBS-UHFFFAOYSA-N
XLogP2.14
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one (CID 647350) is 7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one is O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1F.
What is the InChIKey of 7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one?
The InChIKey is JFBWZKKFAPIBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O2/c19-11-5-7-12(8-6-11)25-17-14(9-21-25)18(27)24(23-22-17)10-16(26)13-3-1-2-4-15(13)20/h1-9H,10H2.
What are the key properties of 7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one?
7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one has a molecular weight of 367.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]pyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 647350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).