7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C14H15FN4O2 — CID 75528571

IUPAC7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCN1CCn2c(nn(Cc3cccc(F)c3)c2=O)C1=O
InChIInChI=1S/C14H15FN4O2/c1-2-17-6-7-18-12(13(17)20)16-19(14(18)21)9-10-4-3-5-11(15)8-10/h3-5,8H,2,6-7,9H2,1H3
InChIKeySACSIJKIGSTVSJ-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.71
Rot. Bonds3

About 7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 75528571) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID75528571
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCN1CCn2c(nn(Cc3cccc(F)c3)c2=O)C1=O
InChIInChI=1S/C14H15FN4O2/c1-2-17-6-7-18-12(13(17)20)16-19(14(18)21)9-10-4-3-5-11(15)8-10/h3-5,8H,2,6-7,9H2,1H3
InChIKeySACSIJKIGSTVSJ-UHFFFAOYSA-N
XLogP0.71
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 75528580
2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methylphenyl)acetamide
CID 75528754
N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 75528744
7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 75466407
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 75528589
N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 75528680
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
N-[(2,3-dimethoxyphenyl)methyl]-2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 75528606
4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121118123
1-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-one
CID 62728552
1-ethyl-4-[(3-fluorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-3-methylpyrazolo[4,5-d]pyrimidine-5,7-dione
CID 53050847
4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 133353791

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 75528571) is 7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is CCN1CCn2c(nn(Cc3cccc(F)c3)c2=O)C1=O.
What is the InChIKey of 7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is SACSIJKIGSTVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-2-17-6-7-18-12(13(17)20)16-19(14(18)21)9-10-4-3-5-11(15)8-10/h3-5,8H,2,6-7,9H2,1H3.
What are the key properties of 7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 290.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 75528571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).