BRN 6439517

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

CAS: 87540-07-6

Molecular Formula	`C21H22N6`
Molecular Weight	358.4 g/mol
LogP	3.4
Topological Polar Surface Area	49.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	358.19058
Heavy Atoms	27
Complexity	499.0

Chemical Identifiers

CAS Number	87540-07-6
SMILES	`CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=CC4=C3C=CC=C4N5CCCC5`
InChIKey	`DDFCZWZNRGKDFH-UHFFFAOYSA-N`

📖 Product Overview

BRN 6439517 (CAS: 87540-07-6) is a chemical compound with molecular formula C21H22N6 and molecular weight 358.4 g/mol. Its IUPAC systematic name is N,N-dimethyl-4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline. LogP 3.4 Topological Polar Surface Area 49.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 358.19058 Heavy Atoms 27 Complexity 499.0 InChI Key: DDFCZWZNRGKDFH-UHFFFAOYSA-N. SMILES: CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=CC4=C3C=CC=C4N5CCCC5.

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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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