EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3XGR439T9P
EPA CompTox	DTXSID2059516

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3XGR439T9P

EPA CompTox

DTXSID2059516


InChI Key	ZFLIKDUSUDBGCD-UHFFFAOYSA-N
Smiles	O=C1NC(=O)C(=O)N1
InChI	InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)

InChI Key

ZFLIKDUSUDBGCD-UHFFFAOYSA-N

Smiles

O=C1NC(=O)C(=O)N1

InChI

InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)

Property Name	Value
Molecular Formula	C3H2N2O3
Molecular Weight	114.01
AlogP	-0.81
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	78.76
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C3H2N2O3

Molecular Weight

114.01

AlogP

-0.81

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

78.76

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	120-89-8
NORMAN SUSDAT
FDA SRS	3XGR439T9P
PubChem	67126
ChemSpider	60473.0

Resources

Reference

CAS NUMBER

120-89-8

NORMAN SUSDAT

FDA SRS

3XGR439T9P

PubChem

67126

ChemSpider

60473.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

IMIDAZOLIDINETRIONE

Structure

Physicochemical Descriptors

Cross References