EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D47RK4A68R
EPA CompTox	DTXSID8068832

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D47RK4A68R

EPA CompTox

DTXSID8068832


InChI Key	XBLZVFYOCZVABA-UHFFFAOYSA-N
Smiles	CCOc1cncc(C)n1
InChI	InChI=1S/C7H10N2O/c1-3-10-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3

InChI Key

XBLZVFYOCZVABA-UHFFFAOYSA-N

Smiles

CCOc1cncc(C)n1

InChI

InChI=1S/C7H10N2O/c1-3-10-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3

Property Name	Value
Molecular Formula	C7H10N2O1
Molecular Weight	138.08
AlogP	1.18
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	35.01
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H10N2O1

Molecular Weight

138.08

AlogP

1.18

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

35.01

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	53163-97-6
NORMAN SUSDAT
FDA SRS	D47RK4A68R
PubChem	104421
ChemSpider	93911.0

Resources

Reference

CAS NUMBER

53163-97-6

NORMAN SUSDAT

FDA SRS

D47RK4A68R

PubChem

104421

ChemSpider

93911.0

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-ETHOXY-6-METHYL-

Structure

Physicochemical Descriptors

Cross References