EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YL02E256HT

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YL02E256HT


InChI Key	IRVDBEMWNQAVEV-UHFFFAOYSA-N
Smiles	O=[N+]([O-])C1=CN=C(N1C)CSC2=NC=CC=C2
InChI	InChI=1/C10H10N4O2S/c1-13-8(12-6-10(13)14(15)16)7-17-9-4-2-3-5-11-9/h2-6H,7H2,1H3

InChI Key

IRVDBEMWNQAVEV-UHFFFAOYSA-N

Smiles

O=[N+]([O-])C1=CN=C(N1C)CSC2=NC=CC=C2

InChI

InChI=1/C10H10N4O2S/c1-13-8(12-6-10(13)14(15)16)7-17-9-4-2-3-5-11-9/h2-6H,7H2,1H3

Property Name	Value
Molecular Formula	C10H11N4O2S
Molecular Weight	250.05
AlogP	2.02
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	4.0
Polar Surface Area	73.85
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C10H11N4O2S

Molecular Weight

250.05

AlogP

2.02

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

4.0

Polar Surface Area

73.85

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	55432-15-0
NORMAN SUSDAT
FDA SRS	YL02E256HT
PubChem	68724

Resources

Reference

CAS NUMBER

55432-15-0

NORMAN SUSDAT

FDA SRS

YL02E256HT

PubChem

68724

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

PIRINIDAZOLE

Structure

Physicochemical Descriptors

Cross References