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

C15H15FN6O2 — CID 75538599

IUPAC2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide
SMILESCCn1nc(C)c2nnn(CC(=O)Nc3ccccc3F)c(=O)c21
InChIInChI=1S/C15H15FN6O2/c1-3-21-14-13(9(2)19-21)18-20-22(15(14)24)8-12(23)17-11-7-5-4-6-10(11)16/h4-7H,3,8H2,1-2H3,(H,17,23)
InChIKeyQLNLDVWAQOLUAU-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.09
Rot. Bonds4

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

2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 75538599) has the molecular formula C15H15FN6O2 and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide
PubChem CID75538599
Molecular FormulaC15H15FN6O2
Molecular Weight330.32 g/mol
Exact Mass330.12
IUPAC Name2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide
SMILESCCn1nc(C)c2nnn(CC(=O)Nc3ccccc3F)c(=O)c21
InChIInChI=1S/C15H15FN6O2/c1-3-21-14-13(9(2)19-21)18-20-22(15(14)24)8-12(23)17-11-7-5-4-6-10(11)16/h4-7H,3,8H2,1-2H3,(H,17,23)
InChIKeyQLNLDVWAQOLUAU-UHFFFAOYSA-N
XLogP1.09
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide (CID 75538599) is 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide is CCn1nc(C)c2nnn(CC(=O)Nc3ccccc3F)c(=O)c21.
What is the InChIKey of 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is QLNLDVWAQOLUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O2/c1-3-21-14-13(9(2)19-21)18-20-22(15(14)24)8-12(23)17-11-7-5-4-6-10(11)16/h4-7H,3,8H2,1-2H3,(H,17,23).
What are the key properties of 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide?
2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 330.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 75538599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).