EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	288E04GRMT
EPA CompTox	DTXSID70893668

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

288E04GRMT

EPA CompTox

DTXSID70893668


InChI Key	UHYRDDLPMDYHPL-UHFFFAOYSA-N
Smiles	C1CC2=NC1C3CCC(=N3)C=C4CCC(=N4)/C=C5/CC/C(=C2)N5
InChI	InChI=1S/C19H22N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h10-11,18-19H,1-9H2

InChI Key

UHYRDDLPMDYHPL-UHFFFAOYSA-N

Smiles

C1CC2=NC1C3CCC(=N3)C=C4CCC(=N4)/C=C5/CC/C(=C2)N5

InChI

InChI=1S/C19H22N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h10-11,18-19H,1-9H2

Property Name	Value
Molecular Formula	C19H22N4
Molecular Weight	306.18
AlogP	3.83
Hydrogen Bond Acceptor	4.0
Polar Surface Area	49.44
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H22N4

Molecular Weight

306.18

AlogP

3.83

Hydrogen Bond Acceptor

4.0

Polar Surface Area

49.44

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	262-76-0
NORMAN SUSDAT
FDA SRS	288E04GRMT

Resources

Reference

CAS NUMBER

262-76-0

NORMAN SUSDAT

FDA SRS

288E04GRMT

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

CORRIN

Structure

Physicochemical Descriptors

Cross References