EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	107D610372
EPA CompTox	DTXSID00238003

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

107D610372

EPA CompTox

DTXSID00238003


InChI Key	YLUSMKAJIQOXPV-UHFFFAOYSA-N
Smiles	Nc1c2CCCCc2nc3CCCc13
InChI	InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)

InChI Key

YLUSMKAJIQOXPV-UHFFFAOYSA-N

Smiles

Nc1c2CCCCc2nc3CCCc13

InChI

InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)

Property Name	Value
Molecular Formula	C12H16N2
Molecular Weight	188.13
AlogP	1.86
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Polar Surface Area	39.64
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H16N2

Molecular Weight

188.13

AlogP

1.86

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Polar Surface Area

39.64

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	90043-86-0
NORMAN SUSDAT
FDA SRS	107D610372

Resources

Reference

CAS NUMBER

90043-86-0

NORMAN SUSDAT

FDA SRS

107D610372

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

AMIRIDINE

Structure

Physicochemical Descriptors

Cross References