7-Hydroxypyrazolo[5,1-c]pyrido[4,3-e][1,2,4]-triazin-6(7H)-one|11-hydroxy-2,3,7,8,11-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,12-pentaen-10-one|11-hydroxy-2,3,7,8,11-pentaazatricyclo[7.4.0....

General Information

Structure

Molecular Formula

C₈H₅N₅O₂

Molecular Mass

203.1576

Exact Mass

203.04432443

Charge

InChI

InChI=1S/C8H5N5O2/c14-8-7-5(2-4-12(8)15)13-6(10-11-7)1-3-9-13/h1-4,15H

InChIKey

YIUDMJODNYMNKC-UHFFFAOYSA-N

Canonic Smiles

On1ccc2c(c1=O)nnc1n2ncc1

Isomeric Smiles

n1ccc2n1c1c(nn2)c(=O)n(cc1)O

Calculated Properties

JChem

Acid pKa

6.263716

H Acceptors

H Donor

LogD (pH = 5.5)

-0.74186796

LogD (pH = 7.4)

-1.8157619

Log P

-0.6731437

Molar Refractivity

62.2848

Polarizability

17.919847

Polar Surface Area

83.62

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

7-Hydroxypyrazolo[5,1-c]pyrido[4,3-e][1,2,4]-triazin-6(7H)-one7-hydroxypyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

IUPAC Traditional name

11-hydroxy-2,3,7,8,11-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,12-pentaen-10-one 11-hydroxy-2,3,7,8,11-pentaazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-one

IUPAC name

11-hydroxy-2,3,7,8,11-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,12-pentaen-10-one 11-hydroxy-2,3,7,8,11-pentaazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-one

Names and Identifiers

Registration numbers

MDL Number

MFCD15203740

PubChem CID

45588708

PubChem SID

162026991

Registration numbers

Properties

Safety Information

TSCA Listed