EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7V95I5A59R
EPA CompTox	DTXSID00192191

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7V95I5A59R

EPA CompTox

DTXSID00192191


InChI Key	AIKNQWWUQFXNAZ-UHFFFAOYSA-N
Smiles	Cc1nc2CCCc2nc1C
InChI	InChI=1S/C9H12N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h3-5H2,1-2H3

InChI Key

AIKNQWWUQFXNAZ-UHFFFAOYSA-N

Smiles

Cc1nc2CCCc2nc1C

InChI

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

Property Name	Value
Molecular Formula	C9H12N2
Molecular Weight	148.1
AlogP	1.58
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

1.58

Hydrogen Bond Acceptor

2.0

Polar Surface Area

25.78

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	38917-62-3
NORMAN SUSDAT
FDA SRS	7V95I5A59R

Resources

Reference

CAS NUMBER

38917-62-3

NORMAN SUSDAT

FDA SRS

7V95I5A59R

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-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE

Structure

Physicochemical Descriptors

Cross References