EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SZL55XL4Y6
EPA CompTox	DTXSID40158150

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SZL55XL4Y6

EPA CompTox

DTXSID40158150


InChI Key	HXQHRUJXQJEGER-UHFFFAOYSA-N
Smiles	CN1C2=CC=CC=C2N=N1
InChI	InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3

InChI Key

HXQHRUJXQJEGER-UHFFFAOYSA-N

Smiles

CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3

Property Name	Value
Molecular Formula	C7H7N3
Molecular Weight	133.06
AlogP	0.97
Hydrogen Bond Acceptor	3.0
Polar Surface Area	30.71
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H7N3

Molecular Weight

133.06

AlogP

0.97

Hydrogen Bond Acceptor

3.0

Polar Surface Area

30.71

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	13351-73-0
NORMAN SUSDAT
FDA SRS	SZL55XL4Y6
PubChem	25902
ChemSpider	24133.0

Resources

Reference

CAS NUMBER

13351-73-0

NORMAN SUSDAT

FDA SRS

SZL55XL4Y6

PubChem

25902

ChemSpider

24133.0

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-BENZOTRIAZOLE, 1-METHYL-

Structure

Physicochemical Descriptors

Cross References