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

C14H23N3O2 — CID 103220724

IUPAC2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one
SMILESCCCCOCCn1ncc(NC2CCC2)cc1=O
InChIInChI=1S/C14H23N3O2/c1-2-3-8-19-9-7-17-14(18)10-13(11-15-17)16-12-5-4-6-12/h10-12,16H,2-9H2,1H3
InChIKeyNHHASMKMTLBWJL-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.02
Rot. Bonds8

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

2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one (PubChem CID 103220724) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one
PubChem CID103220724
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one
SMILESCCCCOCCn1ncc(NC2CCC2)cc1=O
InChIInChI=1S/C14H23N3O2/c1-2-3-8-19-9-7-17-14(18)10-13(11-15-17)16-12-5-4-6-12/h10-12,16H,2-9H2,1H3
InChIKeyNHHASMKMTLBWJL-UHFFFAOYSA-N
XLogP2.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396
5-(cyclobutylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103220509
5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 103220699
2-(2-butoxyethyl)-5-iodopyridazin-3-one
CID 114553643
5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
CID 103220561
5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
CID 103220632
5-(cyclobutylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
CID 103220654
5-(cyclopropylamino)-2-pent-3-ynylpyridazin-3-one
CID 103219688
5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide
CID 114281817
4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide
CID 103220022
5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107914577
5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103219905

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one?
The IUPAC name of 2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one (CID 103220724) is 2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one is CCCCOCCn1ncc(NC2CCC2)cc1=O.
What is the InChIKey of 2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one?
The InChIKey is NHHASMKMTLBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-8-19-9-7-17-14(18)10-13(11-15-17)16-12-5-4-6-12/h10-12,16H,2-9H2,1H3.
What are the key properties of 2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one?
2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one is sourced from PubChem (CID 103220724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).