EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YLT2TR0PUH
EPA CompTox	DTXSID1034844

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YLT2TR0PUH

EPA CompTox

DTXSID1034844


InChI Key	WUZNHSBFPPFULJ-UHFFFAOYSA-N
Smiles	CC(C)(C#N)NC1=NC(=NC(=N1)NC2CC2)Cl
InChI	InChI=1S/C10H13ClN6/c1-10(2,5-12)17-9-15-7(11)14-8(16-9)13-6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17)

InChI Key

WUZNHSBFPPFULJ-UHFFFAOYSA-N

Smiles

CC(C)(C#N)NC1=NC(=NC(=N1)NC2CC2)Cl

InChI

InChI=1S/C10H13ClN6/c1-10(2,5-12)17-9-15-7(11)14-8(16-9)13-6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17)

Property Name	Value
Molecular Formula	C10H13Cl1N6
Molecular Weight	252.09
AlogP	1.24
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	89.75
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C10H13Cl1N6

Molecular Weight

252.09

AlogP

1.24

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

89.75

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	32889-48-8
NORMAN SUSDAT
FDA SRS	YLT2TR0PUH
PubChem	36274
ChemSpider	14843867.0

Resources

Reference

CAS NUMBER

32889-48-8

NORMAN SUSDAT

FDA SRS

YLT2TR0PUH

PubChem

36274

ChemSpider

14843867.0

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

PROCYAZINE

Structure

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