EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	TC4CC2ZVG9
EPA CompTox	DTXSID90171814

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

TC4CC2ZVG9

EPA CompTox

DTXSID90171814


InChI Key	KAZMCIGKULUUMR-UHFFFAOYSA-N
Smiles	Cc1nnc(N)cc1
InChI	InChI=1S/C5H7N3/c1-4-2-3-5(6)8-7-4/h2-3H,1H3,(H2,6,8)

InChI Key

KAZMCIGKULUUMR-UHFFFAOYSA-N

Smiles

Cc1nnc(N)cc1

InChI

InChI=1S/C5H7N3/c1-4-2-3-5(6)8-7-4/h2-3H,1H3,(H2,6,8)

Property Name	Value
Molecular Formula	C5H7N3
Molecular Weight	109.06
AlogP	0.2
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	52.53
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C5H7N3

Molecular Weight

109.06

AlogP

0.2

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

52.53

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	18591-82-7
NORMAN SUSDAT
FDA SRS	TC4CC2ZVG9
PubChem	87712
ChemSpider	21070.0

Resources

Reference

CAS NUMBER

18591-82-7

NORMAN SUSDAT

FDA SRS

TC4CC2ZVG9

PubChem

87712

ChemSpider

21070.0

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

6-METHYLPYRIDAZIN-3-AMINE

Structure

Physicochemical Descriptors

Cross References