EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID5068316

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID5068316


InChI Key	RFDMWAAVQQFVFK-UHFFFAOYSA-N
Smiles	c1ccc(cc1)n1nnnc1N=Nc1nnnn1c1ccccc1
InChI	InChI=1S/C14H10N10/c1-3-7-11(8-4-1)23-13(17-19-21-23)15-16-14-18-20-22-24(14)12-9-5-2-6-10-12/h1-10H/b16-15+

InChI Key

RFDMWAAVQQFVFK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)n1nnnc1N=Nc1nnnn1c1ccccc1

InChI

InChI=1S/C14H10N10/c1-3-7-11(8-4-1)23-13(17-19-21-23)15-16-14-18-20-22-24(14)12-9-5-2-6-10-12/h1-10H/b16-15+

Property Name	Value
Molecular Formula	C14H10N10
Molecular Weight	318.11
AlogP	2.05
Hydrogen Bond Acceptor	10.0
Number of Rotational Bond	4.0
Polar Surface Area	111.92
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C14H10N10

Molecular Weight

318.11

AlogP

2.05

Hydrogen Bond Acceptor

10.0

Number of Rotational Bond

4.0

Polar Surface Area

111.92

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	41463-67-6
NORMAN SUSDAT
PubChem	170516
ChemSpider	4945776.0

Resources

Reference

CAS NUMBER

41463-67-6

NORMAN SUSDAT

PubChem

170516

ChemSpider

4945776.0

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-TETRAZOLE, 5,5'-AZOBIS[1-PHENYL-

Structure

Physicochemical Descriptors

Cross References