EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	G4K6EB8DAU
EPA CompTox	DTXSID90227002

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

G4K6EB8DAU

EPA CompTox

DTXSID90227002


InChI Key	LCDGAYYHFKVEAR-UHFFFAOYSA-N
Smiles	CCN1CC(=O)N=C1N
InChI	InChI=1S/C5H9N3O/c1-2-8-3-4(9)7-5(8)6/h2-3H2,1H3,(H2,6,7,9)

InChI Key

LCDGAYYHFKVEAR-UHFFFAOYSA-N

Smiles

CCN1CC(=O)N=C1N

InChI

InChI=1S/C5H9N3O/c1-2-8-3-4(9)7-5(8)6/h2-3H2,1H3,(H2,6,7,9)

Property Name	Value
Molecular Formula	C5H9N3O1
Molecular Weight	127.07
AlogP	0.21
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	59.68
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H9N3O1

Molecular Weight

127.07

AlogP

0.21

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

59.68

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	76146-27-5
NORMAN SUSDAT
FDA SRS	G4K6EB8DAU
PubChem	3086053
ChemSpider	2342765.0

Resources

Reference

CAS NUMBER

76146-27-5

NORMAN SUSDAT

FDA SRS

G4K6EB8DAU

PubChem

3086053

ChemSpider

2342765.0

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

2-AMINO-1-ETHYL-1,5-DIHYDRO-4H-IMIDAZOL-4-ONE

Structure

Physicochemical Descriptors

Cross References