EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	Y0054U597M
EPA CompTox	DTXSID9049039

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

Y0054U597M

EPA CompTox

DTXSID9049039


InChI Key	ZRFWHHCXSSACAW-UHFFFAOYSA-M
Smiles	[Cl-].NC1=[C+]N(NO1)N1CCOCC1
InChI	InChI=1S/C6H12N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5,8H,1-4,7H2

InChI Key

ZRFWHHCXSSACAW-UHFFFAOYSA-M

Smiles

[Cl-].NC1=[C+]N(NO1)N1CCOCC1

InChI

InChI=1S/C6H12N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5,8H,1-4,7H2

Property Name	Value
Molecular Formula	C6H12N4O2
Molecular Weight	172.1
AlogP	-1.26
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	62.99
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C6H12N4O2

Molecular Weight

172.1

AlogP

-1.26

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

62.99

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	16142-27-1
NORMAN SUSDAT
FDA SRS	Y0054U597M
PubChem	197942
ChemSpider	21171572.0

Resources

Reference

CAS NUMBER

16142-27-1

NORMAN SUSDAT

FDA SRS

Y0054U597M

PubChem

197942

ChemSpider

21171572.0

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

3-MORPHOLINOSYDNONIMINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References