3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile

C10H14N4O — CID 63286635

IUPAC3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1cccnn1
InChIInChI=1S/C10H14N4O/c1-15-9-8-14(7-3-5-11)10-4-2-6-12-13-10/h2,4,6H,3,7-9H2,1H3
InChIKeyIGDXODSOZXLJGF-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.84
Rot. Bonds6

About 3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile

3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile (PubChem CID 63286635) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile
PubChem CID63286635
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1cccnn1
InChIInChI=1S/C10H14N4O/c1-15-9-8-14(7-3-5-11)10-4-2-6-12-13-10/h2,4,6H,3,7-9H2,1H3
InChIKeyIGDXODSOZXLJGF-UHFFFAOYSA-N
XLogP0.84
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile (CID 63286635) is 3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile is COCCN(CCC#N)c1cccnn1.
What is the InChIKey of 3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile?
The InChIKey is IGDXODSOZXLJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-15-9-8-14(7-3-5-11)10-4-2-6-12-13-10/h2,4,6H,3,7-9H2,1H3.
What are the key properties of 3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile?
3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile has a molecular weight of 206.25 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile is sourced from PubChem (CID 63286635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).