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....

基本信息

化学结构

分子式

C₈H₅N₅O₂

分子量

203.1576

精确质量

203.04432443

电荷

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

计算属性

JChem

Acid pKa

6.263716

质子受体

质子供体

LogD (pH = 5.5)

-0.74186796

LogD (pH = 7.4)

-1.8157619

Log P

-0.6731437

摩尔折射率

62.2848

极化性

17.919847

极化表面积

83.62

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

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传统名

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标准名

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

名称和标识

数据登录号

MDL号

MFCD15203740

PubChem SID

162026991

PubChem CID

45588708

数据登录号

化合物性质

安全信息

保存注意事项