EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	N079TRL8P5
EPA CompTox	DTXSID70186406

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

N079TRL8P5

EPA CompTox

DTXSID70186406


InChI Key	RJIREWQSLPRZFG-UHFFFAOYSA-N
Smiles	CCC1=CN=C(C(=N1)C)CC;CCc1cnc(CC)c(C)n1
InChI	InChI=1S/C9H14N2/c1-4-8-6-10-9(5-2)7(3)11-8/h6H,4-5H2,1-3H3

InChI Key

RJIREWQSLPRZFG-UHFFFAOYSA-N

Smiles

CCC1=CN=C(C(=N1)C)CC;CCc1cnc(CC)c(C)n1

InChI

InChI=1S/C9H14N2/c1-4-8-6-10-9(5-2)7(3)11-8/h6H,4-5H2,1-3H3

Property Name	Value
Molecular Formula	C9H14N2
Molecular Weight	150.12
AlogP	1.91
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	25.78
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C9H14N2

Molecular Weight

150.12

AlogP

1.91

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

25.78

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	32736-91-7
NORMAN SUSDAT
FDA SRS	N079TRL8P5

Resources

Reference

CAS NUMBER

32736-91-7

NORMAN SUSDAT

FDA SRS

N079TRL8P5

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...

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Last update: Monday, 3 November 2025

2,5-DIETHYL-3-METHYLPYRAZINE

Structure

Physicochemical Descriptors

Cross References