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

C15H25N3O2 — CID 103220691

IUPAC5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
SMILESCC(C)CCOCCn1ncc(NC2CCC2)cc1=O
InChIInChI=1S/C15H25N3O2/c1-12(2)6-8-20-9-7-18-15(19)10-14(11-16-18)17-13-4-3-5-13/h10-13,17H,3-9H2,1-2H3
InChIKeySFMNBKXBQFONSI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.27
Rot. Bonds8

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

5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one (PubChem CID 103220691) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
PubChem CID103220691
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
SMILESCC(C)CCOCCn1ncc(NC2CCC2)cc1=O
InChIInChI=1S/C15H25N3O2/c1-12(2)6-8-20-9-7-18-15(19)10-14(11-16-18)17-13-4-3-5-13/h10-13,17H,3-9H2,1-2H3
InChIKeySFMNBKXBQFONSI-UHFFFAOYSA-N
XLogP2.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one (CID 103220691) is 5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one is CC(C)CCOCCn1ncc(NC2CCC2)cc1=O.
What is the InChIKey of 5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The InChIKey is SFMNBKXBQFONSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)6-8-20-9-7-18-15(19)10-14(11-16-18)17-13-4-3-5-13/h10-13,17H,3-9H2,1-2H3.
What are the key properties of 5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one has a molecular weight of 279.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103220691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).