EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	A9BL9OKQ7T
EPA CompTox	DTXSID60160977

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

A9BL9OKQ7T

EPA CompTox

DTXSID60160977


InChI Key	RAFHQTNQEZECFL-UHFFFAOYSA-N
Smiles	CCc1nc(C)cnc1
InChI	InChI=1S/C7H10N2/c1-3-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3

InChI Key

RAFHQTNQEZECFL-UHFFFAOYSA-N

Smiles

CCc1nc(C)cnc1

InChI

InChI=1S/C7H10N2/c1-3-7-5-8-4-6(2)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	13925-03-6
NORMAN SUSDAT
FDA SRS	A9BL9OKQ7T
PubChem	26332
ChemSpider	24534.0

Resources

Reference

CAS NUMBER

13925-03-6

NORMAN SUSDAT

FDA SRS

A9BL9OKQ7T

PubChem

26332

ChemSpider

24534.0

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-ETHYL-6-METHYLPYRAZINE

Structure

Physicochemical Descriptors

Cross References