EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	KUC9L4DL8U
EPA CompTox	DTXSID40220381

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

KUC9L4DL8U

EPA CompTox

DTXSID40220381


InChI Key	NZQFOCIYDGJNSF-UHFFFAOYSA-N
Smiles	CCc1nc(OC)nc(N)n1
InChI	InChI=1S/C6H10N4O/c1-3-4-8-5(7)10-6(9-4)11-2/h3H2,1-2H3,(H2,7,8,9,10)

InChI Key

NZQFOCIYDGJNSF-UHFFFAOYSA-N

Smiles

CCc1nc(OC)nc(N)n1

InChI

InChI=1S/C6H10N4O/c1-3-4-8-5(7)10-6(9-4)11-2/h3H2,1-2H3,(H2,7,8,9,10)

Property Name	Value
Molecular Formula	C6H10N4O1
Molecular Weight	154.09
AlogP	-0.14
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	74.65
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H10N4O1

Molecular Weight

154.09

AlogP

-0.14

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

74.65

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	701-78-0
NORMAN SUSDAT
FDA SRS	KUC9L4DL8U
PubChem	69701
ChemSpider	62902.0

Resources

Reference

CAS NUMBER

701-78-0

NORMAN SUSDAT

FDA SRS

KUC9L4DL8U

PubChem

69701

ChemSpider

62902.0

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-ETHYL-4-AMINO-6-METHOXY-S-TRIAZINE

Structure

Physicochemical Descriptors

Cross References