EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50884554

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50884554


InChI Key	JMDOEUVPOVHBNU-UHFFFAOYSA-N
Smiles	N=1C(=NC(=NC1N2CC2CC)N3CC3CC)N4CC4CC
InChI	InChI=1/C15H24N6/c1-4-10-7-19(10)13-16-14(20-8-11(20)5-2)18-15(17-13)21-9-12(21)6-3/h10-12H,4-9H2,1-3H3

InChI Key

JMDOEUVPOVHBNU-UHFFFAOYSA-N

Smiles

N=1C(=NC(=NC1N2CC2CC)N3CC3CC)N4CC4CC

InChI

InChI=1/C15H24N6/c1-4-10-7-19(10)13-16-14(20-8-11(20)5-2)18-15(17-13)21-9-12(21)6-3/h10-12H,4-9H2,1-3H3

Property Name	Value
Molecular Formula	C15H24N6
Molecular Weight	288.21
AlogP	1.67
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	6.0
Polar Surface Area	47.7
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H24N6

Molecular Weight

288.21

AlogP

1.67

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

6.0

Polar Surface Area

47.7

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	18924-91-9
NORMAN SUSDAT
PubChem	86807

Resources

Reference

CAS NUMBER

18924-91-9

NORMAN SUSDAT

PubChem

86807

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

2,4,6-TRIS(2-ETHYLAZIRIDIN-1-YL)-1,3,5-TRIAZINE

Structure

Physicochemical Descriptors

Cross References