6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile

C10H14N4O — CID 133446107

IUPAC6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile
SMILESCCOCCN(C)c1ccc(C#N)nn1
InChIInChI=1S/C10H14N4O/c1-3-15-7-6-14(2)10-5-4-9(8-11)12-13-10/h4-5H,3,6-7H2,1-2H3
InChIKeyHEYNPQNAYLXIHR-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.82
Rot. Bonds5

About 6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile

6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile (PubChem CID 133446107) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile
PubChem CID133446107
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile
SMILESCCOCCN(C)c1ccc(C#N)nn1
InChIInChI=1S/C10H14N4O/c1-3-15-7-6-14(2)10-5-4-9(8-11)12-13-10/h4-5H,3,6-7H2,1-2H3
InChIKeyHEYNPQNAYLXIHR-UHFFFAOYSA-N
XLogP0.82
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile (CID 133446107) is 6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile is CCOCCN(C)c1ccc(C#N)nn1.
What is the InChIKey of 6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile?
The InChIKey is HEYNPQNAYLXIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-15-7-6-14(2)10-5-4-9(8-11)12-13-10/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile?
6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133446107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).