BRN 6443964

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

CAS: 87540-10-1

Molecular Formula	`C21H21ClN6`
Molecular Weight	392.9 g/mol
LogP	4.0
Topological Polar Surface Area	49.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	392.1516
Heavy Atoms	28
Complexity	541.0

Chemical Identifiers

CAS Number	87540-10-1
SMILES	`CN(C)C1=CC(=C(C=C1)C2=NN=C3N2N=CC4=C3C=CC=C4N5CCCC5)Cl`
InChIKey	`RLDCVAHCHUYDOF-UHFFFAOYSA-N`

📖 Product Overview

BRN 6443964 (CAS: 87540-10-1) is a chemical compound with molecular formula C21H21ClN6 and molecular weight 392.9 g/mol. Its IUPAC systematic name is 3-chloro-N,N-dimethyl-4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline. LogP 4.0 Topological Polar Surface Area 49.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 392.1516 Heavy Atoms 28 Complexity 541.0 InChI Key: RLDCVAHCHUYDOF-UHFFFAOYSA-N. SMILES: CN(C)C1=CC(=C(C=C1)C2=NN=C3N2N=CC4=C3C=CC=C4N5CCCC5)Cl.

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