EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	W41R8X574D
EPA CompTox	DTXSID6065422

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

W41R8X574D

EPA CompTox

DTXSID6065422


InChI Key	OXCKCFJIKRGXMM-UHFFFAOYSA-N
Smiles	CCc1cnc(C)cn1
InChI	InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3

InChI Key

OXCKCFJIKRGXMM-UHFFFAOYSA-N

Smiles

CCc1cnc(C)cn1

InChI

InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3

Property Name	Value
Molecular Formula	C7H10N2
Molecular Weight	122.08
AlogP	1.35
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	25.78
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H10N2

Molecular Weight

122.08

AlogP

1.35

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

25.78

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	13360-64-0
NORMAN SUSDAT
FDA SRS	W41R8X574D
PubChem	25915
ChemSpider	24144.0

Resources

Reference

CAS NUMBER

13360-64-0

NORMAN SUSDAT

FDA SRS

W41R8X574D

PubChem

25915

ChemSpider

24144.0

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

PYRAZINE, 2-ETHYL-5-METHYL-

Structure

Physicochemical Descriptors

Cross References