EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	60SN334A6B
EPA CompTox	DTXSID40224940

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

60SN334A6B

EPA CompTox

DTXSID40224940


InChI Key	QJPUNSUXMNSPCN-UHFFFAOYSA-N
Smiles	Nc1cc2c(cn[nH]2)cc1N
InChI	InChI=1S/C7H8N4/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,8-9H2,(H,10,11)

InChI Key

QJPUNSUXMNSPCN-UHFFFAOYSA-N

Smiles

Nc1cc2c(cn[nH]2)cc1N

InChI

InChI=1S/C7H8N4/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,8-9H2,(H,10,11)

Property Name	Value
Molecular Formula	C7H8N4
Molecular Weight	148.07
AlogP	0.73
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Polar Surface Area	80.72
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C7H8N4

Molecular Weight

148.07

AlogP

0.73

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Polar Surface Area

80.72

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	7404-68-4
NORMAN SUSDAT
FDA SRS	60SN334A6B
PubChem	81900
ChemSpider	73908.0

Resources

Reference

CAS NUMBER

7404-68-4

NORMAN SUSDAT

FDA SRS

60SN334A6B

PubChem

81900

ChemSpider

73908.0

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-INDAZOLE, 5,6-DIAMINO-

Structure

Physicochemical Descriptors

Cross References