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

C29H28N4O3 — CID 15020491

IUPAC[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene
SMILESCC1(C)OCC(COc2ccc(/N=N/C(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)O1
InChIInChI=1S/C29H28N4O3/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/h3-19,25H,20-21H2,1-2H3/b33-31+
InChIKeyGOWDINWRMWNKDL-QOSDPKFLSA-N
MW480.57 g/mol
LogP6.08
Rot. Bonds8

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

[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene (PubChem CID 15020491) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is [6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene.

Molecular Properties

Compound Name[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene
PubChem CID15020491
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene
SMILESCC1(C)OCC(COc2ccc(/N=N/C(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)O1
InChIInChI=1S/C29H28N4O3/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/h3-19,25H,20-21H2,1-2H3/b33-31+
InChIKeyGOWDINWRMWNKDL-QOSDPKFLSA-N
XLogP6.08
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene?
The IUPAC name of [6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene (CID 15020491) is [6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene.
What is the SMILES notation for [6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene?
The canonical SMILES for [6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene is CC1(C)OCC(COc2ccc(/N=N/C(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)O1.
What is the InChIKey of [6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene?
The InChIKey is GOWDINWRMWNKDL-QOSDPKFLSA-N. The full InChI is InChI=1S/C29H28N4O3/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/h3-19,25H,20-21H2,1-2H3/b33-31+.
What are the key properties of [6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene?
[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene has a molecular weight of 480.57 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-yl]-trityldiazene is sourced from PubChem (CID 15020491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).