5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one

C14H21N3O — CID 103220561

IUPAC5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CC1CCCC1
InChIInChI=1S/C14H21N3O/c18-14-8-13(16-12-6-3-7-12)9-15-17(14)10-11-4-1-2-5-11/h8-9,11-12,16H,1-7,10H2
InChIKeyHCRDJASUKWTVTD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.40
Rot. Bonds4

About 5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one

5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one (PubChem CID 103220561) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
PubChem CID103220561
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CC1CCCC1
InChIInChI=1S/C14H21N3O/c18-14-8-13(16-12-6-3-7-12)9-15-17(14)10-11-4-1-2-5-11/h8-9,11-12,16H,1-7,10H2
InChIKeyHCRDJASUKWTVTD-UHFFFAOYSA-N
XLogP2.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one (CID 103220561) is 5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one is O=c1cc(NC2CCC2)cnn1CC1CCCC1.
What is the InChIKey of 5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one?
The InChIKey is HCRDJASUKWTVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14-8-13(16-12-6-3-7-12)9-15-17(14)10-11-4-1-2-5-11/h8-9,11-12,16H,1-7,10H2.
What are the key properties of 5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one?
5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one has a molecular weight of 247.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one is sourced from PubChem (CID 103220561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).