Itrizole

2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

CAS: 2049588-24-9

Molecular Formula	`C35H38Cl2N8O4`
Molecular Weight	705.6 g/mol
LogP	5.7
Topological Polar Surface Area	101.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	11
Exact Mass	704.2393
Heavy Atoms	49
Complexity	1120.0

Chemical Identifiers

CAS Number	2049588-24-9
SMILES	`CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl`
InChIKey	`VHVPQPYKVGDNFY-UHFFFAOYSA-N`

📖 Product Overview

Itrizole (CAS: 2049588-24-9) is a chemical compound with molecular formula C35H38Cl2N8O4 and molecular weight 705.6 g/mol. Its IUPAC systematic name is 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one. LogP 5.7 Topological Polar Surface Area 101.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 9 Rotatable Bonds 11 Exact Mass 704.2393 Heavy Atoms 49 Complexity 1120.0 InChI Key: VHVPQPYKVGDNFY-UHFFFAOYSA-N. SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl.

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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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