6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

C13H21N3O2 — CID 10083526

IUPAC6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCCCCOc1nn(C)c(=O)cc1N1CCCC1
InChIInChI=1S/C13H21N3O2/c1-3-4-9-18-13-11(16-7-5-6-8-16)10-12(17)15(2)14-13/h10H,3-9H2,1-2H3
InChIKeyGVESPSMVCKYPDB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds5

About 6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 10083526) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID10083526
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCCCCOc1nn(C)c(=O)cc1N1CCCC1
InChIInChI=1S/C13H21N3O2/c1-3-4-9-18-13-11(16-7-5-6-8-16)10-12(17)15(2)14-13/h10H,3-9H2,1-2H3
InChIKeyGVESPSMVCKYPDB-UHFFFAOYSA-N
XLogP1.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.56
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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Related Compounds

2-(2-propoxyethyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72868425
6-Methoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 9991237
5-Morpholin-4-yl-2-pentyl-6-propoxypyridazin-3-one
CID 9995485
2-Methyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
CID 10015131
6-Ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
CID 10037168
6-Butoxy-2-ethyl-5-morpholin-4-ylpyridazin-3-one
CID 10039368
5-Morpholin-4-yl-6-propoxy-2-propylpyridazin-3-one
CID 10039369
6-Butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
CID 10061409
6-Butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 10061509
6-Ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 10082326
2-Butyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
CID 10085879
2-Ethyl-5-morpholin-4-yl-6-pentoxypyridazin-3-one
CID 10108559

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (CID 10083526) is 6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is CCCCOc1nn(C)c(=O)cc1N1CCCC1.
What is the InChIKey of 6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is GVESPSMVCKYPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-9-18-13-11(16-7-5-6-8-16)10-12(17)15(2)14-13/h10H,3-9H2,1-2H3.
What are the key properties of 6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 10083526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).