EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	V5WDN6HY4L
EPA CompTox	DTXSID10204673

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

V5WDN6HY4L

EPA CompTox

DTXSID10204673


InChI Key	CLGFIVUFZRGQRP-UHFFFAOYSA-N
Smiles	Nc1nc(=O)c2c([nH]c(=O)[nH]2)[nH]1
InChI	InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)

InChI Key

CLGFIVUFZRGQRP-UHFFFAOYSA-N

Smiles

Nc1nc(=O)c2c([nH]c(=O)[nH]2)[nH]1

InChI

InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)

Property Name	Value
Molecular Formula	C5H5N5O2
Molecular Weight	167.04
AlogP	-0.82
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	5.0
Polar Surface Area	121.67
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C5H5N5O2

Molecular Weight

167.04

AlogP

-0.82

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

5.0

Polar Surface Area

121.67

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	5614-64-2
NORMAN SUSDAT
FDA SRS	V5WDN6HY4L
PubChem	65154
ChemSpider	58661.0

Resources

Reference

CAS NUMBER

5614-64-2

NORMAN SUSDAT

FDA SRS

V5WDN6HY4L

PubChem

65154

ChemSpider

58661.0

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

8-HYDROXYGUANINE

Structure

Physicochemical Descriptors

Cross References