EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZQ9WLC2XZP
EPA CompTox	DTXSID80180672

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZQ9WLC2XZP

EPA CompTox

DTXSID80180672


InChI Key	OAQRIDXOGCNRLX-UHFFFAOYSA-N
Smiles	CC(=O)N1CN(CN(C1)C(=O)C)C(=O)C
InChI	InChI=1S/C9H15N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H2,1-3H3

InChI Key

OAQRIDXOGCNRLX-UHFFFAOYSA-N

Smiles

CC(=O)N1CN(CN(C1)C(=O)C)C(=O)C

InChI

InChI=1S/C9H15N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H2,1-3H3

Property Name	Value
Molecular Formula	C9H15N3O3
Molecular Weight	213.11
AlogP	-0.58
Hydrogen Bond Acceptor	3.0
Polar Surface Area	60.93
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C9H15N3O3

Molecular Weight

213.11

AlogP

-0.58

Hydrogen Bond Acceptor

3.0

Polar Surface Area

60.93

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	26028-46-6
NORMAN SUSDAT
FDA SRS	ZQ9WLC2XZP
PubChem	33271
ChemSpider	30732.0

Resources

Reference

CAS NUMBER

26028-46-6

NORMAN SUSDAT

FDA SRS

ZQ9WLC2XZP

PubChem

33271

ChemSpider

30732.0

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

1,3,5-TRIACETYLHEXAHYDRO-1,3,5-TRIAZINE

Structure

Physicochemical Descriptors

Cross References