5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one

C13H19N3O2 — CID 103220570

IUPAC5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CC1CCCO1
InChIInChI=1S/C13H19N3O2/c17-13-7-11(15-10-3-1-4-10)8-14-16(13)9-12-5-2-6-18-12/h7-8,10,12,15H,1-6,9H2
InChIKeyYZUKTGMURRSRJB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.39
Rot. Bonds4

About 5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one

5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one (PubChem CID 103220570) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
PubChem CID103220570
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CC1CCCO1
InChIInChI=1S/C13H19N3O2/c17-13-7-11(15-10-3-1-4-10)8-14-16(13)9-12-5-2-6-18-12/h7-8,10,12,15H,1-6,9H2
InChIKeyYZUKTGMURRSRJB-UHFFFAOYSA-N
XLogP1.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclobutylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
CID 103220654
5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
CID 103220561
5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
CID 103219794
5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
CID 103220632
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 103220699
2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one
CID 103220724
5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103220440
5-(cyclobutylamino)-2-[(2,4-dichlorophenyl)methyl]pyridazin-3-one
CID 103220558
5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103220663
2-[(3-chlorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220548
2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220543

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one (CID 103220570) is 5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one is O=c1cc(NC2CCC2)cnn1CC1CCCO1.
What is the InChIKey of 5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one?
The InChIKey is YZUKTGMURRSRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13-7-11(15-10-3-1-4-10)8-14-16(13)9-12-5-2-6-18-12/h7-8,10,12,15H,1-6,9H2.
What are the key properties of 5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one?
5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103220570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).