EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NR64FDG5XY
EPA CompTox	DTXSID70884354

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NR64FDG5XY

EPA CompTox

DTXSID70884354


InChI Key	MZEWYVRDJISVSS-UHFFFAOYSA-N
Smiles	N1C2N3C(NC(C)CC3NC(C)C2)CC1C
InChI	InChI=1/C12H24N4/c1-7-4-10-14-9(3)6-12-15-8(2)5-11(13-7)16(10)12/h7-15H,4-6H2,1-3H3

InChI Key

MZEWYVRDJISVSS-UHFFFAOYSA-N

Smiles

N1C2N3C(NC(C)CC3NC(C)C2)CC1C

InChI

InChI=1/C12H24N4/c1-7-4-10-14-9(3)6-12-15-8(2)5-11(13-7)16(10)12/h7-15H,4-6H2,1-3H3

Property Name	Value
Molecular Formula	C12H24N4
Molecular Weight	224.2
AlogP	0.41
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Polar Surface Area	39.33
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C12H24N4

Molecular Weight

224.2

AlogP

0.41

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Polar Surface Area

39.33

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	7034-04-0
NORMAN SUSDAT
FDA SRS	NR64FDG5XY
PubChem	72582

Resources

Reference

CAS NUMBER

7034-04-0

NORMAN SUSDAT

FDA SRS

NR64FDG5XY

PubChem

72582

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

DODECAHYDRO-2,5,8-TRIMETHYL-1,4,7,9B-TETRAAZAPHENALENE

Structure

Physicochemical Descriptors

Cross References