EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z633Z7KAJU
EPA CompTox	DTXSID30187499

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z633Z7KAJU

EPA CompTox

DTXSID30187499


InChI Key	NOFNCLGCUJJPKU-UHFFFAOYSA-N
Smiles	CN1C2=C(NC1=O)NC(=O)N(C2=O)C
InChI	InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)

InChI Key

NOFNCLGCUJJPKU-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)

Property Name	Value
Molecular Formula	C7H8N4O3
Molecular Weight	196.06
AlogP	-0.92
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Polar Surface Area	93.17
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C7H8N4O3

Molecular Weight

196.06

AlogP

-0.92

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Polar Surface Area

93.17

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	33868-03-0
NORMAN SUSDAT
FDA SRS	Z633Z7KAJU
PubChem	91611
ChemSpider	82720.0

Resources

Reference

CAS NUMBER

33868-03-0

NORMAN SUSDAT

FDA SRS

Z633Z7KAJU

PubChem

91611

ChemSpider

82720.0

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

1,7-DIMETHYLURIC ACID

Structure

Physicochemical Descriptors

Cross References