4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one

C15H12FN3O2 — CID 141195787

IUPAC4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2O)n1Cc1cccc(F)c1
InChIInChI=1S/C15H12FN3O2/c16-11-5-3-4-10(8-11)9-19-14(17-18-15(19)21)12-6-1-2-7-13(12)20/h1-8,20H,9H2,(H,18,21)
InChIKeyPWNFMWVFILGJOT-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.13
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one

4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one (PubChem CID 141195787) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one
PubChem CID141195787
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2O)n1Cc1cccc(F)c1
InChIInChI=1S/C15H12FN3O2/c16-11-5-3-4-10(8-11)9-19-14(17-18-15(19)21)12-6-1-2-7-13(12)20/h1-8,20H,9H2,(H,18,21)
InChIKeyPWNFMWVFILGJOT-UHFFFAOYSA-N
XLogP2.13
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one (CID 141195787) is 4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one is O=c1[nH]nc(-c2ccccc2O)n1Cc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
The InChIKey is PWNFMWVFILGJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-11-5-3-4-10(8-11)9-19-14(17-18-15(19)21)12-6-1-2-7-13(12)20/h1-8,20H,9H2,(H,18,21).
What are the key properties of 4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one?
4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one has a molecular weight of 285.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 141195787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).