2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one

C11H19N3O — CID 106549121

IUPAC2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one
SMILESCCCCNCCn1ncc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-3-4-5-12-6-7-14-11(15)8-10(2)9-13-14/h8-9,12H,3-7H2,1-2H3
InChIKeyREKPVBXWNRRGRT-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.94
Rot. Bonds6

About 2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one

2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one (PubChem CID 106549121) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one
PubChem CID106549121
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one
SMILESCCCCNCCn1ncc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-3-4-5-12-6-7-14-11(15)8-10(2)9-13-14/h8-9,12H,3-7H2,1-2H3
InChIKeyREKPVBXWNRRGRT-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
CID 106548281
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
N-(2-methylpropyl)-6-oxo-1H-pyridazine-4-carboxamide
CID 20785128
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
2-[3,3-Dimethyl-2-(methylamino)butyl]pyridazin-3-one
CID 62848545
2-[2-(Propylamino)ethyl]pyridazin-3-one
CID 62848550
2-[2-(Butylamino)ethyl]pyridazin-3-one
CID 62848573
2-[2-(Pentylamino)ethyl]pyridazin-3-one
CID 62848748
2-[2-(Hexylamino)ethyl]pyridazin-3-one
CID 62848749
2-[2-(Butan-2-ylamino)ethyl]pyridazin-3-one
CID 62848750
2-[2-(2-Methylbutan-2-ylamino)ethyl]pyridazin-3-one
CID 62848919
2-[2-(Cyclopropylmethylamino)ethyl]pyridazin-3-one
CID 62848922

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one (CID 106549121) is 2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one is CCCCNCCn1ncc(C)cc1=O.
What is the InChIKey of 2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one?
The InChIKey is REKPVBXWNRRGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-4-5-12-6-7-14-11(15)8-10(2)9-13-14/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one?
2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106549121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).