EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	A5B06TDT72
EPA CompTox	DTXSID2066480

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

A5B06TDT72

EPA CompTox

DTXSID2066480


InChI Key	XBTOSRUBOXQWBO-UHFFFAOYSA-N
Smiles	Nc1cc2c([nH]nc2)cc1
InChI	InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)

InChI Key

XBTOSRUBOXQWBO-UHFFFAOYSA-N

Smiles

Nc1cc2c([nH]nc2)cc1

InChI

InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)

Property Name	Value
Molecular Formula	C7H7N3
Molecular Weight	133.06
AlogP	1.15
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	54.7
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H7N3

Molecular Weight

133.06

AlogP

1.15

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

54.7

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	19335-11-6
NORMAN SUSDAT
FDA SRS	A5B06TDT72
PubChem	88012
ChemSpider	73468.0

Resources

Reference

CAS NUMBER

19335-11-6

NORMAN SUSDAT

FDA SRS

A5B06TDT72

PubChem

88012

ChemSpider

73468.0

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, 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

5-AMINOINDAZOLE

Structure

Physicochemical Descriptors

Cross References