5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one

C14H21N3O2 — CID 103220655

IUPAC5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CCC1CCCO1
InChIInChI=1S/C14H21N3O2/c18-14-9-12(16-11-3-1-4-11)10-15-17(14)7-6-13-5-2-8-19-13/h9-11,13,16H,1-8H2
InChIKeyWOJDPOVJYHHUET-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.78
Rot. Bonds5

About 5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one

5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one (PubChem CID 103220655) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
PubChem CID103220655
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CCC1CCCO1
InChIInChI=1S/C14H21N3O2/c18-14-9-12(16-11-3-1-4-11)10-15-17(14)7-6-13-5-2-8-19-13/h9-11,13,16H,1-8H2
InChIKeyWOJDPOVJYHHUET-UHFFFAOYSA-N
XLogP1.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one (CID 103220655) is 5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one is O=c1cc(NC2CCC2)cnn1CCC1CCCO1.
What is the InChIKey of 5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The InChIKey is WOJDPOVJYHHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14-9-12(16-11-3-1-4-11)10-15-17(14)7-6-13-5-2-8-19-13/h9-11,13,16H,1-8H2.
What are the key properties of 5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 103220655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).