EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NSK4ND7K2W
EPA CompTox	DTXSID1071167

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NSK4ND7K2W

EPA CompTox

DTXSID1071167


InChI Key	JFKKCQBOYLNEDE-UHFFFAOYSA-N
Smiles	O=C1N(N=NN1[Si](C)(C)C)C=2C=CC=CC2
InChI	InChI=1/C10H14N4OSi/c1-16(2,3)14-10(15)13(11-12-14)9-7-5-4-6-8-9/h4-8H,1-3H3

InChI Key

JFKKCQBOYLNEDE-UHFFFAOYSA-N

Smiles

O=C1N(N=NN1[Si](C)(C)C)C=2C=CC=CC2

InChI

InChI=1/C10H14N4OSi/c1-16(2,3)14-10(15)13(11-12-14)9-7-5-4-6-8-9/h4-8H,1-3H3

Property Name	Value
Molecular Formula	C10H14N4OSi
Molecular Weight	234.09
AlogP	1.11
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	2.0
Polar Surface Area	52.71
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C10H14N4OSi

Molecular Weight

234.09

AlogP

1.11

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

2.0

Polar Surface Area

52.71

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	68140-26-1
NORMAN SUSDAT
FDA SRS	NSK4ND7K2W
PubChem	99624

Resources

Reference

CAS NUMBER

68140-26-1

NORMAN SUSDAT

FDA SRS

NSK4ND7K2W

PubChem

99624

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

1,4-DIHYDRO-1-PHENYL-4-(TRIMETHYLSILYL)-5H-TETRAZOL-5-ONE

Structure

Physicochemical Descriptors

Cross References