3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine

C12H19N3O — CID 75453550

IUPAC3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine
SMILESCCOc1ccc(N2CCC(C)(C)C2)nn1
InChIInChI=1S/C12H19N3O/c1-4-16-11-6-5-10(13-14-11)15-8-7-12(2,3)9-15/h5-6H,4,7-9H2,1-3H3
InChIKeyVNZAXOHEJWVJNX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.11
Rot. Bonds3

About 3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine

3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine (PubChem CID 75453550) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine.

Molecular Properties

Compound Name3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine
PubChem CID75453550
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine
SMILESCCOc1ccc(N2CCC(C)(C)C2)nn1
InChIInChI=1S/C12H19N3O/c1-4-16-11-6-5-10(13-14-11)15-8-7-12(2,3)9-15/h5-6H,4,7-9H2,1-3H3
InChIKeyVNZAXOHEJWVJNX-UHFFFAOYSA-N
XLogP2.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine?
The IUPAC name of 3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine (CID 75453550) is 3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine.
What is the SMILES notation for 3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine?
The canonical SMILES for 3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine is CCOc1ccc(N2CCC(C)(C)C2)nn1.
What is the InChIKey of 3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine?
The InChIKey is VNZAXOHEJWVJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-16-11-6-5-10(13-14-11)15-8-7-12(2,3)9-15/h5-6H,4,7-9H2,1-3H3.
What are the key properties of 3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine?
3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine has a molecular weight of 221.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpyrrolidin-1-yl)-6-ethoxypyridazine is sourced from PubChem (CID 75453550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).