EcoDrugPlus


Synonyms	Isaxonine NSC-760406
Status
Molecule Category	Free-form
UNII	883G6DMT63
EPA CompTox	DTXSID20194975

Synonyms

Isaxonine

NSC-760406

Status

Molecule Category

Free-form

UNII

883G6DMT63

EPA CompTox

DTXSID20194975


InChI Key	FTCYIGBVOHNHCD-UHFFFAOYSA-N
Smiles	CC(C)Nc1ncccn1
InChI	InChI=1S/C7H11N3/c1-6(2)10-7-8-4-3-5-9-7/h3-6H,1-2H3,(H,8,9,10)

InChI Key

FTCYIGBVOHNHCD-UHFFFAOYSA-N

Smiles

CC(C)Nc1ncccn1

InChI

InChI=1S/C7H11N3/c1-6(2)10-7-8-4-3-5-9-7/h3-6H,1-2H3,(H,8,9,10)

Property Name	Value
Molecular Formula	C7H11N3
Molecular Weight	137.19
AlogP	1.3
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	37.81
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H11N3

Molecular Weight

137.19

AlogP

1.3

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

37.81

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

10.0

Resources	Reference
ChEBI	134762
ChEMBL	CHEMBL1740513
DrugCentral	1485
FDA SRS	883G6DMT63
PubChem	71169
SureChEMBL	SCHEMBL1270289
ZINC	ZINC000000001585

Resources

Reference

ChEBI

ChEMBL

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

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, and Henri Xhaard. EcoDrugPLUS: An advanced database for drug target conservation analysis and environmental risk assessment. Nucleic Acids Research. In press.

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ISAXONINE

Structure

Physicochemical Descriptors

Cross References