EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D41T26MB6M
EPA CompTox	DTXSID8066680

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D41T26MB6M

EPA CompTox

DTXSID8066680


InChI Key	DNGJVDGPCGXBFF-UHFFFAOYSA-N
Smiles	CN=NNc1ccc(C)cc1
InChI	InChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)

InChI Key

DNGJVDGPCGXBFF-UHFFFAOYSA-N

Smiles

CN=NNc1ccc(C)cc1

InChI

InChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)

Property Name	Value
Molecular Formula	C8H11N3
Molecular Weight	149.1
AlogP	2.4
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	36.75
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H11N3

Molecular Weight

149.1

AlogP

2.4

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

36.75

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	21124-13-0
NORMAN SUSDAT
FDA SRS	D41T26MB6M
PubChem	30492
ChemSpider	28300.0

Resources

Reference

CAS NUMBER

21124-13-0

NORMAN SUSDAT

FDA SRS

D41T26MB6M

PubChem

30492

ChemSpider

28300.0

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...

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Last update: Monday, 3 November 2025

1-TRIAZENE, 1-METHYL-3-(4-METHYLPHENYL)-

Structure

Physicochemical Descriptors

Cross References