EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SMV7RZ3R44
EPA CompTox	DTXSID301168193

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SMV7RZ3R44

EPA CompTox

DTXSID301168193


InChI Key	VRDJHWPWOGKRMU-UHFFFAOYSA-N
Smiles	ON=C1C(=NN)C(OC1(C)C)(C)C
InChI	InChI=1/C8H15N3O2/c1-7(2)5(10-9)6(11-12)8(3,4)13-7/h12H,9H2,1-4H3

InChI Key

VRDJHWPWOGKRMU-UHFFFAOYSA-N

Smiles

ON=C1C(=NN)C(OC1(C)C)(C)C

InChI

InChI=1/C8H15N3O2/c1-7(2)5(10-9)6(11-12)8(3,4)13-7/h12H,9H2,1-4H3

Property Name	Value
Molecular Formula	C8H15N3O2
Molecular Weight	185.12
AlogP	0.72
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Polar Surface Area	80.2
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C8H15N3O2

Molecular Weight

185.12

AlogP

0.72

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Polar Surface Area

80.2

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	30222-10-7
NORMAN SUSDAT
FDA SRS	SMV7RZ3R44
PubChem	135545109

Resources

Reference

CAS NUMBER

30222-10-7

NORMAN SUSDAT

FDA SRS

SMV7RZ3R44

PubChem

135545109

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

2,2,5,5-TETRAMETHYL-4-(HYDROXYIMINO)TETRAHYDROFURAN-3-ONE HYDRAZONE

Structure

Physicochemical Descriptors

Cross References