EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	48RW2FS80G
EPA CompTox	DTXSID8067367

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

48RW2FS80G

EPA CompTox

DTXSID8067367


InChI Key	DGJZDAIWCSVZBI-UHFFFAOYSA-N
Smiles	C(C1CCCCC1)c1nccnc1
InChI	InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2

InChI Key

DGJZDAIWCSVZBI-UHFFFAOYSA-N

Smiles

C(C1CCCCC1)c1nccnc1

InChI

InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2

Property Name	Value
Molecular Formula	C11H16N2
Molecular Weight	176.13
AlogP	2.6
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	25.78
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H16N2

Molecular Weight

176.13

AlogP

2.6

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

25.78

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	28217-92-7
NORMAN SUSDAT
FDA SRS	48RW2FS80G
PubChem	16204532
ChemSpider	17332817.0

Resources

Reference

CAS NUMBER

28217-92-7

NORMAN SUSDAT

FDA SRS

48RW2FS80G

PubChem

16204532

ChemSpider

17332817.0

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, (CYCLOHEXYLMETHYL)-

Structure

Physicochemical Descriptors

Cross References