EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	8B5KKV6WE3
EPA CompTox	DTXSID9064263

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

8B5KKV6WE3

EPA CompTox

DTXSID9064263


InChI Key	KFWVRNPOOBANAY-UHFFFAOYSA-N
Smiles	Cl.N(=NC=1C=CC=CC1C)C2=CC=C(N)C=C2N
InChI	InChI=1/C13H14N4.ClH/c1-9-4-2-3-5-12(9)16-17-13-7-6-10(14)8-11(13)15;/h2-8H,14-15H2,1H3;1H

InChI Key

KFWVRNPOOBANAY-UHFFFAOYSA-N

Smiles

Cl.N(=NC=1C=CC=CC1C)C2=CC=C(N)C=C2N

InChI

InChI=1/C13H14N4.ClH/c1-9-4-2-3-5-12(9)16-17-13-7-6-10(14)8-11(13)15;/h2-8H,14-15H2,1H3;1H

Property Name	Value
Molecular Formula	C13H14N4
Molecular Weight	262.1
AlogP	4.0
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	76.76
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C13H14N4

Molecular Weight

262.1

AlogP

4.0

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

76.76

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	6364-35-8
NORMAN SUSDAT
FDA SRS	8B5KKV6WE3
PubChem	80721

Resources

Reference

CAS NUMBER

6364-35-8

NORMAN SUSDAT

FDA SRS

8B5KKV6WE3

PubChem

80721

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-(O-TOLYLAZO)BENZENE-1,3-DIAMINE MONOHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References