4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione

C8H7FN4O2 — CID 107409343

IUPAC4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione
SMILESNc1ccc(-n2c(=O)[nH][nH]c2=O)cc1F
InChIInChI=1S/C8H7FN4O2/c9-5-3-4(1-2-6(5)10)13-7(14)11-12-8(13)15/h1-3H,10H2,(H,11,14)(H,12,15)
InChIKeyAUORCNRKDDZQNE-UHFFFAOYSA-N
MW210.17 g/mol
LogP-0.42
Rot. Bonds1

About 4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione

4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 107409343) has the molecular formula C8H7FN4O2 and a molecular weight of 210.17 g/mol. Its IUPAC name is 4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione
PubChem CID107409343
Molecular FormulaC8H7FN4O2
Molecular Weight210.17 g/mol
Exact Mass210.06
IUPAC Name4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione
SMILESNc1ccc(-n2c(=O)[nH][nH]c2=O)cc1F
InChIInChI=1S/C8H7FN4O2/c9-5-3-4(1-2-6(5)10)13-7(14)11-12-8(13)15/h1-3H,10H2,(H,11,14)(H,12,15)
InChIKeyAUORCNRKDDZQNE-UHFFFAOYSA-N
XLogP-0.42
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-fluorophenyl)quinolin-2-one
CID 12000515
4-(3-amino-5-fluorophenyl)-1,2,4-triazolidine-3,5-dione
CID 107409356
4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 5305598
4-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-1,2,4-triazolidine-3,5-dione
CID 107409855
1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one
CID 154266053
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
4-(3,5-dioxo-1,2,4-triazolidin-4-yl)benzenecarbothioamide
CID 107409646
4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione
CID 137334067
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353
2-fluoro-4-[(3R)-3-methylpiperazin-1-yl]aniline
CID 174945496
4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 18755009

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione (CID 107409343) is 4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione is Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1F.
What is the InChIKey of 4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is AUORCNRKDDZQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O2/c9-5-3-4(1-2-6(5)10)13-7(14)11-12-8(13)15/h1-3H,10H2,(H,11,14)(H,12,15).
What are the key properties of 4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione?
4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 210.17 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).