2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one

C15H27N3O2 — CID 82443309

IUPAC2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
SMILESCCCCn1nc(C(C)C)cc(CNCCOC)c1=O
InChIInChI=1S/C15H27N3O2/c1-5-6-8-18-15(19)13(11-16-7-9-20-4)10-14(17-18)12(2)3/h10,12,16H,5-9,11H2,1-4H3
InChIKeyWGMSGRNXFYPHAV-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.90
Rot. Bonds9

About 2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one

2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one (PubChem CID 82443309) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
PubChem CID82443309
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
SMILESCCCCn1nc(C(C)C)cc(CNCCOC)c1=O
InChIInChI=1S/C15H27N3O2/c1-5-6-8-18-15(19)13(11-16-7-9-20-4)10-14(17-18)12(2)3/h10,12,16H,5-9,11H2,1-4H3
InChIKeyWGMSGRNXFYPHAV-UHFFFAOYSA-N
XLogP1.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.90
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

2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443306
2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924
2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
CID 82443197
2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82442981
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343
4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
CID 82443259
6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
CID 82526709
2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one
CID 82445319
2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443125
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one (CID 82443309) is 2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one is CCCCn1nc(C(C)C)cc(CNCCOC)c1=O.
What is the InChIKey of 2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one?
The InChIKey is WGMSGRNXFYPHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-6-8-18-15(19)13(11-16-7-9-20-4)10-14(17-18)12(2)3/h10,12,16H,5-9,11H2,1-4H3.
What are the key properties of 2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one?
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one has a molecular weight of 281.40 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 82443309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).