EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P8T739L1FA

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P8T739L1FA


InChI Key	SDYYIRPAZHJOLM-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)c2cc3N(C)c4ccccc4Oc3nn2
InChI	InChI=1S/C16H19N5O/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2/h3-6,11H,7-10H2,1-2H3

InChI Key

SDYYIRPAZHJOLM-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)c2cc3N(C)c4ccccc4Oc3nn2

InChI

InChI=1S/C16H19N5O/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2/h3-6,11H,7-10H2,1-2H3

Property Name	Value
Molecular Formula	C16H19N5O1
Molecular Weight	297.16
AlogP	2.1
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	1.0
Polar Surface Area	44.73
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C16H19N5O1

Molecular Weight

297.16

AlogP

2.1

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

1.0

Polar Surface Area

44.73

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	24886-52-0
NORMAN SUSDAT
FDA SRS	P8T739L1FA

Resources

Reference

CAS NUMBER

24886-52-0

NORMAN SUSDAT

FDA SRS

P8T739L1FA

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

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