EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q8PR0W8TIT
EPA CompTox	DTXSID1047075

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q8PR0W8TIT

EPA CompTox

DTXSID1047075


InChI Key	IAEGWXHKWJGQAZ-UHFFFAOYSA-N
Smiles	Cc1cnc(C)c(C)n1
InChI	InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3

InChI Key

IAEGWXHKWJGQAZ-UHFFFAOYSA-N

Smiles

Cc1cnc(C)c(C)n1

InChI

InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3

Property Name	Value
Molecular Formula	C7H10N2
Molecular Weight	122.08
AlogP	1.4
Hydrogen Bond Acceptor	2.0
Polar Surface Area	25.78
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H10N2

Molecular Weight

122.08

AlogP

1.4

Hydrogen Bond Acceptor

2.0

Polar Surface Area

25.78

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	14667-55-1
NORMAN SUSDAT
FDA SRS	Q8PR0W8TIT
PubChem	26808
ChemSpider	24972.0

Resources

Reference

CAS NUMBER

14667-55-1

NORMAN SUSDAT

FDA SRS

Q8PR0W8TIT

PubChem

26808

ChemSpider

24972.0

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

2,3,5-TRIMETHYLPYRAZINE

Structure

Physicochemical Descriptors

Cross References