EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID0066244

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID0066244


InChI Key	IWCGEJKKDAJKJE-UHFFFAOYSA-N
Smiles	Cc1ccc(NN=NCc2ccccc2)cc1
InChI	InChI=1S/C14H15N3/c1-12-7-9-14(10-8-12)16-17-15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,16)

InChI Key

IWCGEJKKDAJKJE-UHFFFAOYSA-N

Smiles

Cc1ccc(NN=NCc2ccccc2)cc1

InChI

InChI=1S/C14H15N3/c1-12-7-9-14(10-8-12)16-17-15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,16)

Property Name	Value
Molecular Formula	C14H15N3
Molecular Weight	225.13
AlogP	3.97
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	36.75
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H15N3

Molecular Weight

225.13

AlogP

3.97

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

36.75

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	17683-09-9
NORMAN SUSDAT
PubChem	87234
ChemSpider	78691.0

Resources

Reference

CAS NUMBER

17683-09-9

NORMAN SUSDAT

PubChem

87234

ChemSpider

78691.0

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

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

Structure

Physicochemical Descriptors

Cross References