11-amino-2,3,7,11-tetraazatricyclo[7.4.0.0<sup>2</sup>,<sup>6</sup>]trideca-1(9),3,5,7,12-pentaen-10-one|11-amino-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,12-pentaen-10-one|11-amin...

General Information

Structure

Molecular Formula

C₉H₇N₅O

Molecular Mass

201.18478

Exact Mass

201.06505987

Charge

InChI

InChI=1S/C9H7N5O/c10-13-4-2-7-6(9(13)15)5-11-8-1-3-12-14(7)8/h1-5H,10H2

InChIKey

AKEOAOKAUGAPHB-UHFFFAOYSA-N

Canonic Smiles

Nn1ccc2c(c1=O)cnc1n2ncc1

Isomeric Smiles

c12c(n3c(nc2)ccn3)ccn(c1=O)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.3738441

LogD (pH = 7.4)

-0.37253475

Log P

-0.37251803

Molar Refractivity

65.513

Polarizability

19.482698

Polar Surface Area

76.52

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

11-amino-2,3,7,11-tetraazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-one 11-amino-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,12-pentaen-10-one

IUPAC name

11-amino-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,12-pentaen-10-one 11-amino-2,3,7,11-tetraazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-one

Synonyms

7-Aminopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one

Names and Identifiers

Registration numbers

PubChem CID

10679557

PubChem SID

162026800

MDL Number

MFCD13176387

Registration numbers

Properties