EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50507438

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50507438


InChI Key	HPFCOSLTCJLJOW-UHFFFAOYSA-N
Smiles	Cc1cc2nc3ccccc3c(=O)n2[nH]1
InChI	InChI=1S/C11H9N3O/c1-7-6-10-12-9-5-3-2-4-8(9)11(15)14(10)13-7/h2-6,13H,1H3

InChI Key

HPFCOSLTCJLJOW-UHFFFAOYSA-N

Smiles

Cc1cc2nc3ccccc3c(=O)n2[nH]1

InChI

InChI=1S/C11H9N3O/c1-7-6-10-12-9-5-3-2-4-8(9)11(15)14(10)13-7/h2-6,13H,1H3

Property Name	Value
Molecular Formula	C11H9N3O1
Molecular Weight	199.07
AlogP	1.48
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	50.16
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H9N3O1

Molecular Weight

199.07

AlogP

1.48

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

50.16

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	74336-55-3
NORMAN SUSDAT
PubChem	12704102
ChemSpider	23352951.0

Resources

Reference

CAS NUMBER

74336-55-3

NORMAN SUSDAT

PubChem

12704102

ChemSpider

23352951.0

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...

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Last update: Monday, 3 November 2025

2-METHYLPYRAZOLO[5,1-B]QUINAZOLIN-9(1H)-ONE

Structure

Physicochemical Descriptors

Cross References