5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one

C8H8N3O3- — CID 88735503

IUPAC5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one
SMILESO=C1NNN([O-])C1c1ccc(O)cc1
InChIInChI=1S/C8H8N3O3/c12-6-3-1-5(2-4-6)7-8(13)9-10-11(7)14/h1-4,7,10,12H,(H,9,13)/q-1
InChIKeyJEEKJMFYAODHOW-UHFFFAOYSA-N
MW194.17 g/mol
LogP-0.22
Rot. Bonds1

About 5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one

5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one (PubChem CID 88735503) has the molecular formula C8H8N3O3- and a molecular weight of 194.17 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one
PubChem CID88735503
Molecular FormulaC8H8N3O3-
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one
SMILESO=C1NNN([O-])C1c1ccc(O)cc1
InChIInChI=1S/C8H8N3O3/c12-6-3-1-5(2-4-6)7-8(13)9-10-11(7)14/h1-4,7,10,12H,(H,9,13)/q-1
InChIKeyJEEKJMFYAODHOW-UHFFFAOYSA-N
XLogP-0.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-hydroxyphenyl)-1-methylimidazolidine-2,4-dione
CID 82112832
1-ethyl-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 175148611
(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione
CID 129497891
3-chloro-4-(4-hydroxyphenyl)azetidin-2-one
CID 72988124
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
3-(4-hydroxyphenyl)-4-methylazetidin-2-one
CID 141021087
4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione
CID 91446526
(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
2-(4-hydroxyphenyl)-1-methylpiperidin-3-one
CID 105457351
2-(4-hydroxyphenyl)cyclopentane-1,3-dione
CID 163536929
1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione
CID 105473651
4-(2-methyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)phenol
CID 510585

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one?
The IUPAC name of 5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one (CID 88735503) is 5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one is O=C1NNN([O-])C1c1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one?
The InChIKey is JEEKJMFYAODHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3O3/c12-6-3-1-5(2-4-6)7-8(13)9-10-11(7)14/h1-4,7,10,12H,(H,9,13)/q-1.
What are the key properties of 5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one?
5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one has a molecular weight of 194.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one is sourced from PubChem (CID 88735503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).