EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	KL2T8ELG5S
EPA CompTox	DTXSID6075221

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

KL2T8ELG5S

EPA CompTox

DTXSID6075221


InChI Key	RLMGHKMNVDBCSB-UHFFFAOYSA-N
Smiles	CCN(CC)c1nc(nc(n1)N(CC)CC)N(CC)CC
InChI	InChI=1S/C15H30N6/c1-7-19(8-2)13-16-14(20(9-3)10-4)18-15(17-13)21(11-5)12-6/h7-12H2,1-6H3

InChI Key

RLMGHKMNVDBCSB-UHFFFAOYSA-N

Smiles

CCN(CC)c1nc(nc(n1)N(CC)CC)N(CC)CC

InChI

InChI=1S/C15H30N6/c1-7-19(8-2)13-16-14(20(9-3)10-4)18-15(17-13)21(11-5)12-6/h7-12H2,1-6H3

Property Name	Value
Molecular Formula	C15H30N6
Molecular Weight	294.25
AlogP	2.41
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	9.0
Polar Surface Area	48.39
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H30N6

Molecular Weight

294.25

AlogP

2.41

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

9.0

Polar Surface Area

48.39

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	2827-49-8
NORMAN SUSDAT
FDA SRS	KL2T8ELG5S
PubChem	17806
ChemSpider	16826.0

Resources

Reference

CAS NUMBER

2827-49-8

NORMAN SUSDAT

FDA SRS

KL2T8ELG5S

PubChem

17806

ChemSpider

16826.0

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-TRIAZINE-2,4,6-TRIAMINE, N,N,N',N',N'',N''-HEXAETHYL-

Structure

Physicochemical Descriptors

Cross References