1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine

C29H30N4O3 — CID 15020493

IUPAC1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine
SMILESCC1(C)OCC(COc2ccc(NNC(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)O1
InChIInChI=1S/C29H30N4O3/c1-28(2)35-21-25(36-28)20-34-27-19-18-26(30-32-27)31-33-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19,25,33H,20-21H2,1-2H3,(H,30,31)
InChIKeyQOQWSZLAYNGPGQ-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.92
Rot. Bonds9

About 1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine

1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine (PubChem CID 15020493) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine.

Molecular Properties

Compound Name1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine
PubChem CID15020493
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine
SMILESCC1(C)OCC(COc2ccc(NNC(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)O1
InChIInChI=1S/C29H30N4O3/c1-28(2)35-21-25(36-28)20-34-27-19-18-26(30-32-27)31-33-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19,25,33H,20-21H2,1-2H3,(H,30,31)
InChIKeyQOQWSZLAYNGPGQ-UHFFFAOYSA-N
XLogP4.92
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine?
The IUPAC name of 1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine (CID 15020493) is 1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine.
What is the SMILES notation for 1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine?
The canonical SMILES for 1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine is CC1(C)OCC(COc2ccc(NNC(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)O1.
What is the InChIKey of 1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine?
The InChIKey is QOQWSZLAYNGPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-28(2)35-21-25(36-28)20-34-27-19-18-26(30-32-27)31-33-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19,25,33H,20-21H2,1-2H3,(H,30,31).
What are the key properties of 1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine?
1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine has a molecular weight of 482.58 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-2-tritylhydrazine is sourced from PubChem (CID 15020493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).