3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine

C14H21N3O — CID 123398721

IUPAC3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine
SMILESc1cc(N2CCCC2)nnc1OC1CCCCC1
InChIInChI=1S/C14H21N3O/c1-2-6-12(7-3-1)18-14-9-8-13(15-16-14)17-10-4-5-11-17/h8-9,12H,1-7,10-11H2
InChIKeyIXVZKKKJDJCWIS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.79
Rot. Bonds3

About 3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine

3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine (PubChem CID 123398721) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine
PubChem CID123398721
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine
SMILESc1cc(N2CCCC2)nnc1OC1CCCCC1
InChIInChI=1S/C14H21N3O/c1-2-6-12(7-3-1)18-14-9-8-13(15-16-14)17-10-4-5-11-17/h8-9,12H,1-7,10-11H2
InChIKeyIXVZKKKJDJCWIS-UHFFFAOYSA-N
XLogP2.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine (CID 123398721) is 3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine is c1cc(N2CCCC2)nnc1OC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine?
The InChIKey is IXVZKKKJDJCWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-6-12(7-3-1)18-14-9-8-13(15-16-14)17-10-4-5-11-17/h8-9,12H,1-7,10-11H2.
What are the key properties of 3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine?
3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine has a molecular weight of 247.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 123398721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).