benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene

C17H20N4O4 — CID 54084155

IUPACbenzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene
SMILESCOC1(C)OCC(COc2ccc(/N=N/Cc3ccccc3)nn2)O1
InChIInChI=1S/C17H20N4O4/c1-17(22-2)24-12-14(25-17)11-23-16-9-8-15(20-21-16)19-18-10-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3/b19-18+
InChIKeyMPFPQHFMALRQDS-VHEBQXMUSA-N
MW344.37 g/mol
LogP2.87
Rot. Bonds7

About benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene

benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene (PubChem CID 54084155) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene.

Molecular Properties

Compound Namebenzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene
PubChem CID54084155
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Namebenzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene
SMILESCOC1(C)OCC(COc2ccc(/N=N/Cc3ccccc3)nn2)O1
InChIInChI=1S/C17H20N4O4/c1-17(22-2)24-12-14(25-17)11-23-16-9-8-15(20-21-16)19-18-10-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3/b19-18+
InChIKeyMPFPQHFMALRQDS-VHEBQXMUSA-N
XLogP2.87
TPSA87.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene?
The IUPAC name of benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene (CID 54084155) is benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene.
What is the SMILES notation for benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene?
The canonical SMILES for benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene is COC1(C)OCC(COc2ccc(/N=N/Cc3ccccc3)nn2)O1.
What is the InChIKey of benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene?
The InChIKey is MPFPQHFMALRQDS-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-17(22-2)24-12-14(25-17)11-23-16-9-8-15(20-21-16)19-18-10-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3/b19-18+.
What are the key properties of benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene?
benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene has a molecular weight of 344.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]diazene is sourced from PubChem (CID 54084155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).