EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P35895BBAF
EPA CompTox	DTXSID0067713

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P35895BBAF

EPA CompTox

DTXSID0067713


InChI Key	MMKWCKGYULOKET-UHFFFAOYSA-N
Smiles	CCOc1c(C)nccn1
InChI	InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3

InChI Key

MMKWCKGYULOKET-UHFFFAOYSA-N

Smiles

CCOc1c(C)nccn1

InChI

InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/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	32737-14-7
NORMAN SUSDAT
FDA SRS	P35895BBAF
PubChem	122941
ChemSpider	109585.0

Resources

Reference

CAS NUMBER

32737-14-7

NORMAN SUSDAT

FDA SRS

P35895BBAF

PubChem

122941

ChemSpider

109585.0

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-3-METHYL-

Structure

Physicochemical Descriptors

Cross References