EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	94LR72EY8I
EPA CompTox	DTXSID901019871

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

94LR72EY8I

EPA CompTox

DTXSID901019871


InChI Key	WVYDNDBDLYZJKJ-UHFFFAOYSA-N
Smiles	CC1CC(C)c2nccnc12
InChI	InChI=1S/C9H12N2/c1-6-5-7(2)9-8(6)10-3-4-11-9/h3-4,6-7H,5H2,1-2H3

InChI Key

WVYDNDBDLYZJKJ-UHFFFAOYSA-N

Smiles

CC1CC(C)c2nccnc12

InChI

InChI=1S/C9H12N2/c1-6-5-7(2)9-8(6)10-3-4-11-9/h3-4,6-7H,5H2,1-2H3

Property Name	Value
Molecular Formula	C9H12N2
Molecular Weight	148.1
AlogP	2.09
Hydrogen Bond Acceptor	2.0
Polar Surface Area	25.78
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C9H12N2

Molecular Weight

148.1

AlogP

2.09

Hydrogen Bond Acceptor

2.0

Polar Surface Area

25.78

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	41330-21-6
NORMAN SUSDAT
FDA SRS	94LR72EY8I

Resources

Reference

CAS NUMBER

41330-21-6

NORMAN SUSDAT

FDA SRS

94LR72EY8I

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

6,7-DIHYDRO-5,7-DIMETHYL-5H-CYCLOPENTAPYRAZINE

Structure

Physicochemical Descriptors

Cross References