EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WWG5UQV2ZT
EPA CompTox	DTXSID80206644

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WWG5UQV2ZT

EPA CompTox

DTXSID80206644


InChI Key	YYQRNQDOTOKYJU-UHFFFAOYSA-N
Smiles	C1CCN(C1)c1nc(nc(n1)N1CCCC1)N1CCCC1
InChI	InChI=1S/C15H24N6/c1-2-8-19(7-1)13-16-14(20-9-3-4-10-20)18-15(17-13)21-11-5-6-12-21/h1-12H2

InChI Key

YYQRNQDOTOKYJU-UHFFFAOYSA-N

Smiles

C1CCN(C1)c1nc(nc(n1)N1CCCC1)N1CCCC1

InChI

InChI=1S/C15H24N6/c1-2-8-19(7-1)13-16-14(20-9-3-4-10-20)18-15(17-13)21-11-5-6-12-21/h1-12H2

Property Name	Value
Molecular Formula	C15H24N6
Molecular Weight	288.21
AlogP	1.67
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	3.0
Polar Surface Area	48.39
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

3.0

Polar Surface Area

48.39

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	5794-91-2
NORMAN SUSDAT
FDA SRS	WWG5UQV2ZT
PubChem	79859
ChemSpider	72151.0

Resources

Reference

CAS NUMBER

5794-91-2

NORMAN SUSDAT

FDA SRS

WWG5UQV2ZT

PubChem

79859

ChemSpider

72151.0

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

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

Structure

Physicochemical Descriptors

Cross References