3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one

C8H5FIN3O — CID 141387671

IUPAC3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccc(I)cc2F)[nH]1
InChIInChI=1S/C8H5FIN3O/c9-6-3-4(10)1-2-5(6)7-11-8(14)13-12-7/h1-3H,(H2,11,12,13,14)
InChIKeyAZAAGLSHRCSHEW-UHFFFAOYSA-N
MW305.05 g/mol
LogP1.51
Rot. Bonds1

About 3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 141387671) has the molecular formula C8H5FIN3O and a molecular weight of 305.05 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID141387671
Molecular FormulaC8H5FIN3O
Molecular Weight305.05 g/mol
Exact Mass304.95
IUPAC Name3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccc(I)cc2F)[nH]1
InChIInChI=1S/C8H5FIN3O/c9-6-3-4(10)1-2-5(6)7-11-8(14)13-12-7/h1-3H,(H2,11,12,13,14)
InChIKeyAZAAGLSHRCSHEW-UHFFFAOYSA-N
XLogP1.51
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.05
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 135418902
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-phenyl-
CID 3039311
3H-1,2,4-Triazol-3-one, 1,2-dihydro-2-methyl-5-phenyl-
CID 135418901
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-fluorophenyl)-4-methyl-
CID 3087750
4-amino-3-phenyl-1H-1,2,4-triazol-5-one
CID 384494
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-
CID 3088272
3-(p-Tolyl)-1H-1,2,4-triazol-5(4H)-one
CID 135463862
3-(4-fluorophenyl)-4-propyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 2783300
4-(methylamino)-3-phenyl-1H-1,2,4-triazol-5-one
CID 384497
4-(Methylamino)-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 387573
4-Amino-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 384493
4-hydroxy-3-phenyl-1H-1,2,4-triazol-5-one
CID 385479

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 141387671) is 3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(-c2ccc(I)cc2F)[nH]1.
What is the InChIKey of 3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is AZAAGLSHRCSHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FIN3O/c9-6-3-4(10)1-2-5(6)7-11-8(14)13-12-7/h1-3H,(H2,11,12,13,14).
What are the key properties of 3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 305.05 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodophenyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 141387671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).