EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	V99Y0MUY1Q
EPA CompTox	DTXSID6047652

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

V99Y0MUY1Q

EPA CompTox

DTXSID6047652


InChI Key	LCZUOKDVTBMCMX-UHFFFAOYSA-N
Smiles	Cc1cnc(C)cn1
InChI	InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3

InChI Key

LCZUOKDVTBMCMX-UHFFFAOYSA-N

Smiles

Cc1cnc(C)cn1

InChI

InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3

Property Name	Value
Molecular Formula	C6H8N2
Molecular Weight	108.07
AlogP	1.09
Hydrogen Bond Acceptor	2.0
Polar Surface Area	25.78
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C6H8N2

Molecular Weight

108.07

AlogP

1.09

Hydrogen Bond Acceptor

2.0

Polar Surface Area

25.78

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	123-32-0
NORMAN SUSDAT
FDA SRS	V99Y0MUY1Q
PubChem	31252
ChemSpider	28992.0

Resources

Reference

CAS NUMBER

123-32-0

NORMAN SUSDAT

FDA SRS

V99Y0MUY1Q

PubChem

31252

ChemSpider

28992.0

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

2,5-DIMETHYLPYRAZINE

Structure

Physicochemical Descriptors

Cross References