EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	A92TUY97G2
EPA CompTox	DTXSID1068013

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

A92TUY97G2

EPA CompTox

DTXSID1068013


InChI Key	FUOZJYASZOSONT-UHFFFAOYSA-N
Smiles	CC(C)c1ncc[nH]1
InChI	InChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)

InChI Key

FUOZJYASZOSONT-UHFFFAOYSA-N

Smiles

CC(C)c1ncc[nH]1

InChI

InChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)

Property Name	Value
Molecular Formula	C6H10N2
Molecular Weight	110.08
AlogP	1.53
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	28.68
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C6H10N2

Molecular Weight

110.08

AlogP

1.53

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

28.68

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	36947-68-9
NORMAN SUSDAT
FDA SRS	A92TUY97G2
PubChem	123457
ChemSpider	110053.0

Resources

Reference

CAS NUMBER

36947-68-9

NORMAN SUSDAT

FDA SRS

A92TUY97G2

PubChem

123457

ChemSpider

110053.0

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

1H-IMIDAZOLE, 2-(1-METHYLETHYL)-

Structure

Physicochemical Descriptors

Cross References