5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one

C15H19N3OS — CID 103220632

IUPAC5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
SMILESCCc1ccc(Cn2ncc(NC3CCC3)cc2=O)s1
InChIInChI=1S/C15H19N3OS/c1-2-13-6-7-14(20-13)10-18-15(19)8-12(9-16-18)17-11-4-3-5-11/h6-9,11,17H,2-5,10H2,1H3
InChIKeyLRMCWFQARBBDAV-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.88
Rot. Bonds5

About 5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one

5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one (PubChem CID 103220632) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
PubChem CID103220632
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
SMILESCCc1ccc(Cn2ncc(NC3CCC3)cc2=O)s1
InChIInChI=1S/C15H19N3OS/c1-2-13-6-7-14(20-13)10-18-15(19)8-12(9-16-18)17-11-4-3-5-11/h6-9,11,17H,2-5,10H2,1H3
InChIKeyLRMCWFQARBBDAV-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one (CID 103220632) is 5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one is CCc1ccc(Cn2ncc(NC3CCC3)cc2=O)s1.
What is the InChIKey of 5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one?
The InChIKey is LRMCWFQARBBDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-13-6-7-14(20-13)10-18-15(19)8-12(9-16-18)17-11-4-3-5-11/h6-9,11,17H,2-5,10H2,1H3.
What are the key properties of 5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one?
5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one has a molecular weight of 289.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103220632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).