EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	UP8UDT5EKU
EPA CompTox	DTXSID90192680

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

UP8UDT5EKU

EPA CompTox

DTXSID90192680


InChI Key	BOSVHBKQNJZNHK-UHFFFAOYSA-N
Smiles	Cc1cc(C)c2ccc(N)nc2n1
InChI	InChI=1S/C10H11N3/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3,(H2,11,12,13)

InChI Key

BOSVHBKQNJZNHK-UHFFFAOYSA-N

Smiles

Cc1cc(C)c2ccc(N)nc2n1

InChI

InChI=1S/C10H11N3/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3,(H2,11,12,13)

Property Name	Value
Molecular Formula	C10H11N3
Molecular Weight	173.1
AlogP	1.66
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	52.53
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H11N3

Molecular Weight

173.1

AlogP

1.66

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

52.53

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	39565-07-6
NORMAN SUSDAT
FDA SRS	UP8UDT5EKU
PubChem	97365
ChemSpider	87883.0

Resources

Reference

CAS NUMBER

39565-07-6

NORMAN SUSDAT

FDA SRS

UP8UDT5EKU

PubChem

97365

ChemSpider

87883.0

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

5,7-DIMETHYL-1,8-NAPHTHYRIDIN-2-YLAMINE

Structure

Physicochemical Descriptors

Cross References