4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one

C14H9F2N3O2 — CID 143232558

IUPAC4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2O)n1-c1cccc(F)c1F
InChIInChI=1S/C14H9F2N3O2/c15-9-5-3-6-10(12(9)16)19-13(17-18-14(19)21)8-4-1-2-7-11(8)20/h1-7,20H,(H,18,21)
InChIKeyRJGIRQRIHDWDSP-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.21
Rot. Bonds2

About 4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one

4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one (PubChem CID 143232558) has the molecular formula C14H9F2N3O2 and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one
PubChem CID143232558
Molecular FormulaC14H9F2N3O2
Molecular Weight289.24 g/mol
Exact Mass289.07
IUPAC Name4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2O)n1-c1cccc(F)c1F
InChIInChI=1S/C14H9F2N3O2/c15-9-5-3-6-10(12(9)16)19-13(17-18-14(19)21)8-4-1-2-7-11(8)20/h1-7,20H,(H,18,21)
InChIKeyRJGIRQRIHDWDSP-UHFFFAOYSA-N
XLogP2.21
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one (CID 143232558) is 4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one is O=c1[nH]nc(-c2ccccc2O)n1-c1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
The InChIKey is RJGIRQRIHDWDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2/c15-9-5-3-6-10(12(9)16)19-13(17-18-14(19)21)8-4-1-2-7-11(8)20/h1-7,20H,(H,18,21).
What are the key properties of 4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one has a molecular weight of 289.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 143232558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).