BRN 6443514

4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzamide

CAS: 87540-31-6

Molecular Formula	`C20H18N6O`
Molecular Weight	358.4 g/mol
LogP	2.1
Topological Polar Surface Area	89.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	358.1542
Heavy Atoms	27
Complexity	545.0

Chemical Identifiers

CAS Number	87540-31-6
SMILES	`C1CCN(C1)C2=CC=CC3=C2C=NN4C3=NN=C4C5=CC=C(C=C5)C(=O)N`
InChIKey	`AJNIVNDYHMWQKV-UHFFFAOYSA-N`

📖 Product Overview

BRN 6443514 (CAS: 87540-31-6) is a chemical compound with molecular formula C20H18N6O and molecular weight 358.4 g/mol. Its IUPAC systematic name is 4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzamide. LogP 2.1 Topological Polar Surface Area 89.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 358.1542 Heavy Atoms 27 Complexity 545.0 InChI Key: AJNIVNDYHMWQKV-UHFFFAOYSA-N. SMILES: C1CCN(C1)C2=CC=CC3=C2C=NN4C3=NN=C4C5=CC=C(C=C5)C(=O)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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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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