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

C8H7N3O3 — CID 107409889

IUPAC4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1-c1cccc(O)c1
InChIInChI=1S/C8H7N3O3/c12-6-3-1-2-5(4-6)11-7(13)9-10-8(11)14/h1-4,12H,(H,9,13)(H,10,14)
InChIKeyBZKLHVVYOKVDNY-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.44
Rot. Bonds1

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

4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 107409889) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
PubChem CID107409889
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1-c1cccc(O)c1
InChIInChI=1S/C8H7N3O3/c12-6-3-1-2-5(4-6)11-7(13)9-10-8(11)14/h1-4,12H,(H,9,13)(H,10,14)
InChIKeyBZKLHVVYOKVDNY-UHFFFAOYSA-N
XLogP-0.44
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dioxo-1,2,4-triazolidin-4-yl)benzonitrile
CID 71417733
3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
CID 117209156
8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261934
4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione
CID 107409814
3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
CID 58393454
4-[3-(propylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione
CID 107409816
1-(3-hydroxyphenyl)-4,4-dimethylimidazolidin-2-one
CID 105458800
5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one
CID 136999563
3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
CID 134564052
4-amino-1-(3-hydroxyphenyl)pyridin-2-one
CID 105454195
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 18755009

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione (CID 107409889) is 4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1-c1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is BZKLHVVYOKVDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c12-6-3-1-2-5(4-6)11-7(13)9-10-8(11)14/h1-4,12H,(H,9,13)(H,10,14).
What are the key properties of 4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione?
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 193.16 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).