N'-(6,8-dioxopyrimido[4,5-e][1,2,4]triazin-2-yl)pyridine-4-carbohydrazidedihydrate

N'-(6,8-dioxopyrimido[4,5-e][1,2,4]triazin-2-yl)pyridine-4-carbohydrazide;dihydrate

CAS: 80761-64-4

Molecular Formula	`C11H12N8O5`
Molecular Weight	336.26 g/mol
Topological Polar Surface Area	143.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	336.09308
Heavy Atoms	24
Complexity	604.0

Chemical Identifiers

CAS Number	80761-64-4
SMILES	`C1=CN=CC=C1C(=O)NNN2C=NC3=NC(=O)NC(=O)C3=N2.O.O`
InChIKey	`ZDBADGCAUVMTNB-UHFFFAOYSA-N`

📖 Product Overview

N'-(6,8-dioxopyrimido[4,5-e][1,2,4]triazin-2-yl)pyridine-4-carbohydrazidedihydrate (CAS: 80761-64-4) is a chemical compound with molecular formula C11H12N8O5 and molecular weight 336.26 g/mol. Its IUPAC systematic name is N'-(6,8-dioxopyrimido[4,5-e][1,2,4]triazin-2-yl)pyridine-4-carbohydrazide;dihydrate. Topological Polar Surface Area 143.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 8 Rotatable Bonds 3 Exact Mass 336.09308 Heavy Atoms 24 Complexity 604.0 InChI Key: ZDBADGCAUVMTNB-UHFFFAOYSA-N. SMILES: C1=CN=CC=C1C(=O)NNN2C=NC3=NC(=O)NC(=O)C3=N2.O.O.

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