EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EM7554254W
EPA CompTox	DTXSID30870495

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EM7554254W

EPA CompTox

DTXSID30870495


InChI Key	QWENRTYMTSOGBR-UHFFFAOYSA-N
Smiles	N1C=CN=N1
InChI	InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)

InChI Key

QWENRTYMTSOGBR-UHFFFAOYSA-N

Smiles

N1C=CN=N1

InChI

InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)

Property Name	Value
Molecular Formula	C2H3N3
Molecular Weight	69.03
AlogP	-0.2
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	41.57
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C2H3N3

Molecular Weight

69.03

AlogP

-0.2

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

41.57

Heavy Atoms

5.0

Resources	Reference
CAS NUMBER	288-36-8
NORMAN SUSDAT
FDA SRS	EM7554254W
PubChem	67516
ChemSpider	60839.0

Resources

Reference

CAS NUMBER

288-36-8

NORMAN SUSDAT

FDA SRS

EM7554254W

PubChem

67516

ChemSpider

60839.0

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

1H-1,2,3-TRIAZOLE

Structure

Physicochemical Descriptors

Cross References