3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine

C11H17N3O — CID 57034400

IUPAC3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine
SMILESCCOC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C11H17N3O/c1-2-15-9-10-5-4-8-14(10)11-6-3-7-12-13-11/h3,6-7,10H,2,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyFJHQFXYJDUHVJA-JTQLQIEISA-N
MW207.28 g/mol
LogP1.48
Rot. Bonds4

About 3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine

3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine (PubChem CID 57034400) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine
PubChem CID57034400
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine
SMILESCCOC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C11H17N3O/c1-2-15-9-10-5-4-8-14(10)11-6-3-7-12-13-11/h3,6-7,10H,2,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyFJHQFXYJDUHVJA-JTQLQIEISA-N
XLogP1.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine?
The IUPAC name of 3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine (CID 57034400) is 3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine.
What is the SMILES notation for 3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine?
The canonical SMILES for 3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine is CCOC[C@@H]1CCCN1c1cccnn1.
What is the InChIKey of 3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine?
The InChIKey is FJHQFXYJDUHVJA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-15-9-10-5-4-8-14(10)11-6-3-7-12-13-11/h3,6-7,10H,2,4-5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of 3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine?
3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine has a molecular weight of 207.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine is sourced from PubChem (CID 57034400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).