EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	EJ939L81MY
EPA CompTox	DTXSID90177659

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

EJ939L81MY

EPA CompTox

DTXSID90177659


InChI Key	QGDOQULISIQFHQ-UHFFFAOYSA-N
Smiles	O=C1C2=C(N(C(=O)N1C)C)N(C(=O)N2C)C
InChI	InChI=1/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3

InChI Key

QGDOQULISIQFHQ-UHFFFAOYSA-N

Smiles

O=C1C2=C(N(C(=O)N1C)C)N(C(=O)N2C)C

InChI

InChI=1/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3

Property Name	Value
Molecular Formula	C9H12N4O3
Molecular Weight	224.09
AlogP	-1.73
Hydrogen Bond Acceptor	7.0
Polar Surface Area	70.93
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C9H12N4O3

Molecular Weight

224.09

AlogP

-1.73

Hydrogen Bond Acceptor

7.0

Polar Surface Area

70.93

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	2309-49-1
NORMAN SUSDAT
FDA SRS	EJ939L81MY
PubChem	75324
ChemSpider	67862.0

Resources

Reference

CAS NUMBER

2309-49-1

NORMAN SUSDAT

FDA SRS

EJ939L81MY

PubChem

75324

ChemSpider

67862.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

TETRAMETHYLURIC ACID

Structure

Physicochemical Descriptors

Cross References