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

C14H10ClN3O3 — CID 67259136

IUPAC1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]n(-c2ccc(O)c(Cl)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C14H10ClN3O3/c15-11-8-10(6-7-12(11)19)18-14(21)17(13(20)16-18)9-4-2-1-3-5-9/h1-8,19H,(H,16,20)
InChIKeyZAKIEXSYOKBJPP-UHFFFAOYSA-N
MW303.71 g/mol
LogP1.68
Rot. Bonds2

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

1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 67259136) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID67259136
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]n(-c2ccc(O)c(Cl)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C14H10ClN3O3/c15-11-8-10(6-7-12(11)19)18-14(21)17(13(20)16-18)9-4-2-1-3-5-9/h1-8,19H,(H,16,20)
InChIKeyZAKIEXSYOKBJPP-UHFFFAOYSA-N
XLogP1.68
TPSA80.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione (CID 67259136) is 1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione is O=c1[nH]n(-c2ccc(O)c(Cl)c2)c(=O)n1-c1ccccc1.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is ZAKIEXSYOKBJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-11-8-10(6-7-12(11)19)18-14(21)17(13(20)16-18)9-4-2-1-3-5-9/h1-8,19H,(H,16,20).
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 303.71 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 67259136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).