7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C11H7FN4O2 — CID 53298827

IUPAC7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESO=c1c2n[nH]c(=O)n2ccn1-c1ccc(F)cc1
InChIInChI=1S/C11H7FN4O2/c12-7-1-3-8(4-2-7)15-5-6-16-9(10(15)17)13-14-11(16)18/h1-6H,(H,14,18)
InChIKeyBPOIDCVBLRAHKN-UHFFFAOYSA-N
MW246.20 g/mol
LogP0.31
Rot. Bonds1

About 7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 53298827) has the molecular formula C11H7FN4O2 and a molecular weight of 246.20 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID53298827
Molecular FormulaC11H7FN4O2
Molecular Weight246.20 g/mol
Exact Mass246.06
IUPAC Name7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESO=c1c2n[nH]c(=O)n2ccn1-c1ccc(F)cc1
InChIInChI=1S/C11H7FN4O2/c12-7-1-3-8(4-2-7)15-5-6-16-9(10(15)17)13-14-11(16)18/h1-6H,(H,14,18)
InChIKeyBPOIDCVBLRAHKN-UHFFFAOYSA-N
XLogP0.31
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 53298827) is 7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is O=c1c2n[nH]c(=O)n2ccn1-c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is BPOIDCVBLRAHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O2/c12-7-1-3-8(4-2-7)15-5-6-16-9(10(15)17)13-14-11(16)18/h1-6H,(H,14,18).
What are the key properties of 7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 246.20 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 53298827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).