EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	65YN7B130I
EPA CompTox	DTXSID60910712

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

65YN7B130I

EPA CompTox

DTXSID60910712


InChI Key	ULNMZMBBJRBGLM-UHFFFAOYSA-N
Smiles	[Cl-].N=1C=2C=CC=CC2[N+](=C3C=C(N)C=C(N)C13)C
InChI	InChI=1/C13H12N4.ClH/c1-17-11-5-3-2-4-10(11)16-13-9(15)6-8(14)7-12(13)17;/h2-7H,1H3,(H3,14,15);1H

InChI Key

ULNMZMBBJRBGLM-UHFFFAOYSA-N

Smiles

[Cl-].N=1C=2C=CC=CC2[N+](=C3C=C(N)C=C(N)C13)C

InChI

InChI=1/C13H12N4.ClH/c1-17-11-5-3-2-4-10(11)16-13-9(15)6-8(14)7-12(13)17;/h2-7H,1H3,(H3,14,15);1H

Property Name	Value
Molecular Formula	C13H13N4
Molecular Weight	260.08
AlogP	-1.62
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Polar Surface Area	68.81
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C13H13N4

Molecular Weight

260.08

AlogP

-1.62

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Polar Surface Area

68.81

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	1084-43-1
NORMAN SUSDAT
FDA SRS	65YN7B130I
PubChem	14132

Resources

Reference

CAS NUMBER

1084-43-1

NORMAN SUSDAT

FDA SRS

65YN7B130I

PubChem

14132

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

1,3-DIAMINO-5-METHYLPHENAZINIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References