EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z61UN6MHB7
EPA CompTox	DTXSID50202496

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z61UN6MHB7

EPA CompTox

DTXSID50202496


InChI Key	BYXCFUMGEBZDDI-UHFFFAOYSA-N
Smiles	CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
InChI	InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)

InChI Key

BYXCFUMGEBZDDI-UHFFFAOYSA-N

Smiles

CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)

Property Name	Value
Molecular Formula	C8H10N4O3
Molecular Weight	210.08
AlogP	-1.32
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Polar Surface Area	82.05
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C8H10N4O3

Molecular Weight

210.08

AlogP

-1.32

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Polar Surface Area

82.05

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	5415-44-1
NORMAN SUSDAT
FDA SRS	Z61UN6MHB7
PubChem	79437
ChemSpider	71754.0

Resources

Reference

CAS NUMBER

5415-44-1

NORMAN SUSDAT

FDA SRS

Z61UN6MHB7

PubChem

79437

ChemSpider

71754.0

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

1,3,7-TRIMETHYLURIC ACID

Structure

Physicochemical Descriptors

Cross References