4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione

C14H11N3O3 — CID 10778369

IUPAC4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]n(-c2ccccc2)c(=O)n1-c1ccccc1O
InChIInChI=1S/C14H11N3O3/c18-12-9-5-4-8-11(12)16-13(19)15-17(14(16)20)10-6-2-1-3-7-10/h1-9,18H,(H,15,19)
InChIKeyWFZKPLXBBSEZMI-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.02
Rot. Bonds2

About 4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione

4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 10778369) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID10778369
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]n(-c2ccccc2)c(=O)n1-c1ccccc1O
InChIInChI=1S/C14H11N3O3/c18-12-9-5-4-8-11(12)16-13(19)15-17(14(16)20)10-6-2-1-3-7-10/h1-9,18H,(H,15,19)
InChIKeyWFZKPLXBBSEZMI-UHFFFAOYSA-N
XLogP1.02
TPSA80.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
CID 67259136
5-chloro-4-(2-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-one
CID 54268413
4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione
CID 796608
2-[5-tert-butyl-2-(2-hydroxyphenyl)-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 117123721
1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
CID 70937889
4-fluoro-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 67809247
4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one
CID 117123558
6-chloro-2-phenyl-1H-pyridazine-3,4-dione
CID 779542
4-phenyl-1-propanoyl-1,2,4-triazolidine-3,5-dione
CID 101118935
4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
CID 59448125
5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 3162805
5-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-phenyl-1H-pyrazol-3-one
CID 57221591

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione (CID 10778369) is 4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione is O=c1[nH]n(-c2ccccc2)c(=O)n1-c1ccccc1O.
What is the InChIKey of 4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is WFZKPLXBBSEZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-12-9-5-4-8-11(12)16-13(19)15-17(14(16)20)10-6-2-1-3-7-10/h1-9,18H,(H,15,19).
What are the key properties of 4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione?
4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 269.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 10778369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).