N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine

C17H20N4O4 — CID 70543671

IUPACN-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine
SMILESCOC1(C)OCC(COc2ccc(NN=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/h3-10,14H,11-12H2,1-2H3,(H,19,20)
InChIKeyWGHMSBSNGPYXRW-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.04
Rot. Bonds7

About N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine

N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine (PubChem CID 70543671) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine
PubChem CID70543671
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine
SMILESCOC1(C)OCC(COc2ccc(NN=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/h3-10,14H,11-12H2,1-2H3,(H,19,20)
InChIKeyWGHMSBSNGPYXRW-UHFFFAOYSA-N
XLogP2.04
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine?
The IUPAC name of N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine (CID 70543671) is N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine.
What is the SMILES notation for N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine?
The canonical SMILES for N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine is COC1(C)OCC(COc2ccc(NN=Cc3ccccc3)nn2)O1.
What is the InChIKey of N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine?
The InChIKey is WGHMSBSNGPYXRW-UHFFFAOYSA-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/h3-10,14H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine?
N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine has a molecular weight of 344.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine is sourced from PubChem (CID 70543671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).