2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide

C15H16FN5O3 — CID 75528607

IUPAC2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide
SMILESCCN1CCn2c(nn(CC(=O)Nc3cccc(F)c3)c2=O)C1=O
InChIInChI=1S/C15H16FN5O3/c1-2-19-6-7-20-13(14(19)23)18-21(15(20)24)9-12(22)17-11-5-3-4-10(16)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,17,22)
InChIKeyWQJAGDLTBOORML-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.30
Rot. Bonds4

About 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide

2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 75528607) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide
PubChem CID75528607
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide
SMILESCCN1CCn2c(nn(CC(=O)Nc3cccc(F)c3)c2=O)C1=O
InChIInChI=1S/C15H16FN5O3/c1-2-19-6-7-20-13(14(19)23)18-21(15(20)24)9-12(22)17-11-5-3-4-10(16)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,17,22)
InChIKeyWQJAGDLTBOORML-UHFFFAOYSA-N
XLogP0.30
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide (CID 75528607) is 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide is CCN1CCn2c(nn(CC(=O)Nc3cccc(F)c3)c2=O)C1=O.
What is the InChIKey of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is WQJAGDLTBOORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3/c1-2-19-6-7-20-13(14(19)23)18-21(15(20)24)9-12(22)17-11-5-3-4-10(16)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,17,22).
What are the key properties of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide?
2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 333.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 75528607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).