EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L0U38EHD86
EPA CompTox	DTXSID40193521

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L0U38EHD86

EPA CompTox

DTXSID40193521


InChI Key	KUCWWEPJRBANHL-UHFFFAOYSA-N
Smiles	C1Cc2cccc(NC3=NCCN3)c2C1
InChI	InChI=1S/C12H15N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15)

InChI Key

KUCWWEPJRBANHL-UHFFFAOYSA-N

Smiles

C1Cc2cccc(NC3=NCCN3)c2C1

InChI

InChI=1S/C12H15N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15)

Property Name	Value
Molecular Formula	C12H15N3
Molecular Weight	201.13
AlogP	1.55
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	36.42
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H15N3

Molecular Weight

201.13

AlogP

1.55

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

36.42

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	40507-78-6
NORMAN SUSDAT
FDA SRS	L0U38EHD86
PubChem	65979
ChemSpider	59376.0

Resources

Reference

CAS NUMBER

40507-78-6

NORMAN SUSDAT

FDA SRS

L0U38EHD86

PubChem

65979

ChemSpider

59376.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

INDANAZOLINE

Structure

Physicochemical Descriptors

Cross References