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

C12H11FN4O2 — CID 75466407

IUPAC7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESO=C1c2n[nH]c(=O)n2CCN1Cc1cccc(F)c1
InChIInChI=1S/C12H11FN4O2/c13-9-3-1-2-8(6-9)7-16-4-5-17-10(11(16)18)14-15-12(17)19/h1-3,6H,4-5,7H2,(H,15,19)
InChIKeyIENZMAUYDVMKRK-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.37
Rot. Bonds2

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

7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 75466407) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID75466407
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESO=C1c2n[nH]c(=O)n2CCN1Cc1cccc(F)c1
InChIInChI=1S/C12H11FN4O2/c13-9-3-1-2-8(6-9)7-16-4-5-17-10(11(16)18)14-15-12(17)19/h1-3,6H,4-5,7H2,(H,15,19)
InChIKeyIENZMAUYDVMKRK-UHFFFAOYSA-N
XLogP0.37
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 75466407) is 7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is O=C1c2n[nH]c(=O)n2CCN1Cc1cccc(F)c1.
What is the InChIKey of 7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is IENZMAUYDVMKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-9-3-1-2-8(6-9)7-16-4-5-17-10(11(16)18)14-15-12(17)19/h1-3,6H,4-5,7H2,(H,15,19).
What are the key properties of 7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 262.24 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 75466407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).