EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZW4RGK8W5Z
EPA CompTox	DTXSID90172962

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZW4RGK8W5Z

EPA CompTox

DTXSID90172962


InChI Key	HITIGLAGJBMISF-UHFFFAOYSA-N
Smiles	CN(C)c1ccc(cc1)C(=O)NN
InChI	InChI=1S/C9H13N3O/c1-12(2)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)

InChI Key

HITIGLAGJBMISF-UHFFFAOYSA-N

Smiles

CN(C)c1ccc(cc1)C(=O)NN

InChI

InChI=1S/C9H13N3O/c1-12(2)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)

Property Name	Value
Molecular Formula	C9H13N3O1
Molecular Weight	179.11
AlogP	0.36
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	58.36
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H13N3O1

Molecular Weight

179.11

AlogP

0.36

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

58.36

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	19353-92-5
NORMAN SUSDAT
FDA SRS	ZW4RGK8W5Z
PubChem	88019
ChemSpider	79407.0

Resources

Reference

CAS NUMBER

19353-92-5

NORMAN SUSDAT

FDA SRS

ZW4RGK8W5Z

PubChem

88019

ChemSpider

79407.0

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

P-(DIMETHYLAMINO)BENZOHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References