BRN 6443515

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

CAS: 87540-32-7

Molecular Formula	`C20H17N5O2`
Molecular Weight	359.4 g/mol
LogP	2.8
Topological Polar Surface Area	83.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	359.1382
Heavy Atoms	27
Complexity	546.0

Chemical Identifiers

CAS Number	87540-32-7
SMILES	`C1CCN(C1)C2=CC=CC3=C2C=NN4C3=NN=C4C5=CC=C(C=C5)C(=O)O`
InChIKey	`LRDBDZUNGQUKAA-UHFFFAOYSA-N`

📖 Product Overview

BRN 6443515 (CAS: 87540-32-7) is a chemical compound with molecular formula C20H17N5O2 and molecular weight 359.4 g/mol. Its IUPAC systematic name is 4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzoic acid. LogP 2.8 Topological Polar Surface Area 83.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 359.1382 Heavy Atoms 27 Complexity 546.0 InChI Key: LRDBDZUNGQUKAA-UHFFFAOYSA-N. SMILES: C1CCN(C1)C2=CC=CC3=C2C=NN4C3=NN=C4C5=CC=C(C=C5)C(=O)O.

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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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