4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one

C14H10FN3O2 — CID 141309355

IUPAC4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1-c1ccc(-c2ccc(O)cc2)cc1F
InChIInChI=1S/C14H10FN3O2/c15-12-7-10(9-1-4-11(19)5-2-9)3-6-13(12)18-8-16-17-14(18)20/h1-8,19H,(H,17,20)
InChIKeyLIDORGBUQFAHFX-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.07
Rot. Bonds2

About 4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one

4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one (PubChem CID 141309355) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one
PubChem CID141309355
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1-c1ccc(-c2ccc(O)cc2)cc1F
InChIInChI=1S/C14H10FN3O2/c15-12-7-10(9-1-4-11(19)5-2-9)3-6-13(12)18-8-16-17-14(18)20/h1-8,19H,(H,17,20)
InChIKeyLIDORGBUQFAHFX-UHFFFAOYSA-N
XLogP2.07
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one (CID 141309355) is 4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1-c1ccc(-c2ccc(O)cc2)cc1F.
What is the InChIKey of 4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one?
The InChIKey is LIDORGBUQFAHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-7-10(9-1-4-11(19)5-2-9)3-6-13(12)18-8-16-17-14(18)20/h1-8,19H,(H,17,20).
What are the key properties of 4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one?
4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one has a molecular weight of 271.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 141309355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).