BRN 5102969

2-(5,7-dimethyl-6,8-dioxopyrimido[4,5-e][1,2,4]triazin-3-yl)propanedinitrile

CAS: 80761-66-6

Molecular Formula	`C10H7N7O2`
Molecular Weight	257.21 g/mol
LogP	-1.6
Topological Polar Surface Area	127.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	257.06613
Heavy Atoms	19
Complexity	498.0

Chemical Identifiers

CAS Number	80761-66-6
SMILES	`CN1C2=C(C(=O)N(C1=O)C)N=NC(=N2)C(C#N)C#N`
InChIKey	`ZXMHCDKXDNLPFD-UHFFFAOYSA-N`

📖 Product Overview

BRN 5102969 (CAS: 80761-66-6) is a chemical compound with molecular formula C10H7N7O2 and molecular weight 257.21 g/mol. Its IUPAC systematic name is 2-(5,7-dimethyl-6,8-dioxopyrimido[4,5-e][1,2,4]triazin-3-yl)propanedinitrile. LogP -1.6 Topological Polar Surface Area 127.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 1 Exact Mass 257.06613 Heavy Atoms 19 Complexity 498.0 InChI Key: ZXMHCDKXDNLPFD-UHFFFAOYSA-N. SMILES: CN1C2=C(C(=O)N(C1=O)C)N=NC(=N2)C(C#N)C#N.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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