CAS Registry Number: 34122-01-5

Name:

Pyrimido[4,​5-​c]​pyridazin-​5(6H)​-​one
Pyrimido[4,​5-​c]​pyridazin-​5(1H)​-​one (9CI); Pyrimido[4,​5-​c]​pyridazin-​5-​ol (8CI) 

Chemical Formula: C6H4N4O
Exact Mass: 148.04
Molecular Weight: 148.12
m/z: 148.04 (100.0%), 149.04 (8.1%)
Elemental Analysis: C, 48.65; H, 2.72; N, 37.82; O, 10.80

InChI: InChI=1S/C6H4N4O/c11-6-4-1-2-9-10-5(4)7-3-8-6/h1-3H,(H,7,8,10,11)
InChIKey: ZZMFFWQHOSUHLW-UHFFFAOYSA-N
Canonical SMILES : C1=CN=NC2=C1C(=O)N=CN2

Specification

98%

(1) Styles, Virgil L.; Journal of Organic Chemistry 1985, V50(3), P346-50 CAPLUS