EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	A49L8E13FD
EPA CompTox	DTXSID5020491

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

A49L8E13FD

EPA CompTox

DTXSID5020491


InChI Key	JCYPECIVGRXBMO-UHFFFAOYSA-N
Smiles	CN(C)c1ccc(cc1)N=Nc1ccccc1
InChI	InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3

InChI Key

JCYPECIVGRXBMO-UHFFFAOYSA-N

Smiles

CN(C)c1ccc(cc1)N=Nc1ccccc1

InChI

InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3

Property Name	Value
Molecular Formula	C14H15N3
Molecular Weight	225.13
AlogP	4.17
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	27.96
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H15N3

Molecular Weight

225.13

AlogP

4.17

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

27.96

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	60-11-7
NORMAN SUSDAT
FDA SRS	A49L8E13FD
PubChem	6053
ChemSpider	5829.0

Resources

Reference

CAS NUMBER

60-11-7

NORMAN SUSDAT

FDA SRS

A49L8E13FD

PubChem

6053

ChemSpider

5829.0

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, 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

4-(DIMETHYLAMINO)AZOBENZENE

Structure

Physicochemical Descriptors

Cross References