5-Aza-7-deazaguanine

5-Aza-7-deazaguanine or 2-aminoimidazo[1,2-a][1,3,5]triazin-4(1H)-one is a 5-Aza-7-deazapurine base that is an isomer of guanine. It is used as a nucleobase of hachimoji DNA, in which it pairs with 6-Amino-5-nitropyridin-2-one.[1]

Hydrogen bonding (dashed lines) between unnatural bases in hachimoji DNA

5-Aza-7-deazaguanine

Names
IUPAC name 2-Aminoimidazo[1,2-a][1,3,5]triazin-4(1H)-one
Other names 5-Aza-7-deazaguanine
Identifiers
CAS Number	67410-64-4
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL3275938
ChemSpider	10205066
PubChem CID	135600909
CompTox Dashboard (EPA)	DTXSID30541537
InChI InChI=1S/C5H5N5O/c6-3-8-4-7-1-2-10(4)5(11)9-3/h1-2H,(H3,6,7,8,9,11) Key: KSTJOICDZAFYTD-UHFFFAOYSA-N
SMILES C1=CN2C(=O)NC(=NC2=N1)N
Properties
Chemical formula	C5H5N5O
Molar mass	151.1261
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references